N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane

C20H35N — CID 144654857

IUPACN-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
SMILESCC.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29N.C2H6/c1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-2/h5-9,16-17H,10-14H2,1-4H3;1-2H3
InChIKeyVXAUJOIIOJMEPF-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.75
Rot. Bonds3

About N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane

N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane (PubChem CID 144654857) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
PubChem CID144654857
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
SMILESCC.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29N.C2H6/c1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-2/h5-9,16-17H,10-14H2,1-4H3;1-2H3
InChIKeyVXAUJOIIOJMEPF-UHFFFAOYSA-N
XLogP5.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
CID 158061780
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
N-benzyl-4-tert-butyl-N-[(3,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 141030216
bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane
CID 159824806
1-(aminomethyl)-4-[benzyl(methyl)amino]cyclohexan-1-ol
CID 117038127
2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
CID 71227791
4-[benzyl(methyl)amino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117038147
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62418713
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-benzyl-N-(3-bromo-2,2-dimethylpropyl)cyclopropanamine
CID 131010599
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane?
The IUPAC name of N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane (CID 144654857) is N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane.
What is the SMILES notation for N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane?
The canonical SMILES for N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane is CC.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane?
The InChIKey is VXAUJOIIOJMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N.C2H6/c1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-2/h5-9,16-17H,10-14H2,1-4H3;1-2H3.
What are the key properties of N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane?
N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane has a molecular weight of 289.51 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane is sourced from PubChem (CID 144654857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).