tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine

C30H62N2S — CID 161245783

IUPACtert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC1.CC(C)(C)NCC1CCCCC1.CC(C)(C)SCC1CCCCC1
InChIInChI=1S/C11H23N.C11H22S.C8H17N/c2*1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(2,3)9-6-7-4-5-7/h10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;7,9H,4-6H2,1-3H3
InChIKeyVAPRLICWBPGHKT-UHFFFAOYSA-N
MW482.91 g/mol
LogP8.84
Rot. Bonds6

About tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine

tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine (PubChem CID 161245783) has the molecular formula C30H62N2S and a molecular weight of 482.91 g/mol. Its IUPAC name is tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Nametert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine
PubChem CID161245783
Molecular FormulaC30H62N2S
Molecular Weight482.91 g/mol
Exact Mass482.46
IUPAC Nametert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC1.CC(C)(C)NCC1CCCCC1.CC(C)(C)SCC1CCCCC1
InChIInChI=1S/C11H23N.C11H22S.C8H17N/c2*1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(2,3)9-6-7-4-5-7/h10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;7,9H,4-6H2,1-3H3
InChIKeyVAPRLICWBPGHKT-UHFFFAOYSA-N
XLogP8.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine with MolForge

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Related Compounds

N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 59867972
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814
N-(cyclopentylmethyl)-3-methylpentan-3-amine
CID 103746706
3-(cycloheptylmethylamino)-2,3-dimethylbutan-2-ol
CID 104694704
N-(cyclopent-3-en-1-ylmethyl)-2-methylpropan-2-amine
CID 65353678
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine
CID 59100363
N-[[1-(cyclopropylmethoxymethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 106931141
N-(cyclobutylmethyl)-2-methylbutan-2-amine
CID 65460080
N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460585
N-[(2-cyclopentylcycloheptyl)methyl]-2-methylpropan-2-amine
CID 81025228

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine?
The IUPAC name of tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine (CID 161245783) is tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCC1CC1.CC(C)(C)NCC1CCCCC1.CC(C)(C)SCC1CCCCC1.
What is the InChIKey of tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine?
The InChIKey is VAPRLICWBPGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H22S.C8H17N/c2*1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(2,3)9-6-7-4-5-7/h10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;7,9H,4-6H2,1-3H3.
What are the key properties of tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine?
tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine has a molecular weight of 482.91 g/mol, XLogP of 8.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 161245783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).