N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine

C15H29N — CID 114615781

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29N/c1-12(2)10-16-11-13-6-8-14(9-7-13)15(3,4)5/h13-14,16H,1,6-11H2,2-5H3
InChIKeyUAGDLWYKIHKCKL-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.00
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 114615781) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID114615781
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29N/c1-12(2)10-16-11-13-6-8-14(9-7-13)15(3,4)5/h13-14,16H,1,6-11H2,2-5H3
InChIKeyUAGDLWYKIHKCKL-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
3-[(2-methylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 106129426
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
CID 104575141
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine (CID 114615781) is N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is UAGDLWYKIHKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(2)10-16-11-13-6-8-14(9-7-13)15(3,4)5/h13-14,16H,1,6-11H2,2-5H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114615781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).