1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine

C14H30N2 — CID 65385184

IUPAC1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)NC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-12(4)16-14(10-15)8-6-13(7-9-14)11(2)3/h11-13,16H,5-10,15H2,1-4H3
InChIKeyCVKZTGSUHKNWJM-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds5

About 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 65385184) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
PubChem CID65385184
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)NC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-12(4)16-14(10-15)8-6-13(7-9-14)11(2)3/h11-13,16H,5-10,15H2,1-4H3
InChIKeyCVKZTGSUHKNWJM-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 114416143
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
CID 65379712
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
3-(aminomethyl)-N-butan-2-yl-1,5-dimethylpyrrolidin-3-amine
CID 81467597
1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
CID 65383023
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
CID 79137960
1-(aminomethyl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64500541
1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
CID 113465530

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine (CID 65385184) is 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine is CCC(C)NC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is CVKZTGSUHKNWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-12(4)16-14(10-15)8-6-13(7-9-14)11(2)3/h11-13,16H,5-10,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65385184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).