1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine

C16H27N3 — CID 64761545

IUPAC1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)Cc2ccncc2)C(C)C1
InChIInChI=1S/C16H27N3/c1-13-4-7-16(12-17,14(2)10-13)19(3)11-15-5-8-18-9-6-15/h5-6,8-9,13-14H,4,7,10-12,17H2,1-3H3
InChIKeyRMSARXACFWCHFH-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.67
Rot. Bonds4

About 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 64761545) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
PubChem CID64761545
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)Cc2ccncc2)C(C)C1
InChIInChI=1S/C16H27N3/c1-13-4-7-16(12-17,14(2)10-13)19(3)11-15-5-8-18-9-6-15/h5-6,8-9,13-14H,4,7,10-12,17H2,1-3H3
InChIKeyRMSARXACFWCHFH-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine (CID 64761545) is 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine is CC1CCC(CN)(N(C)Cc2ccncc2)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is RMSARXACFWCHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-4-7-16(12-17,14(2)10-13)19(3)11-15-5-8-18-9-6-15/h5-6,8-9,13-14H,4,7,10-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64761545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).