1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine

C16H27N3 — CID 104736535

IUPAC1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)Cc2cccnc2)(N(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13-6-8-16(9-7-13,19(2)3)15(17)11-14-5-4-10-18-12-14/h4-5,10,12-13,15H,6-9,11,17H2,1-3H3
InChIKeyBRCHUTRZCPTMHU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.46
Rot. Bonds4

About 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine

1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 104736535) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
PubChem CID104736535
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)Cc2cccnc2)(N(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13-6-8-16(9-7-13,19(2)3)15(17)11-14-5-4-10-18-12-14/h4-5,10,12-13,15H,6-9,11,17H2,1-3H3
InChIKeyBRCHUTRZCPTMHU-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine (CID 104736535) is 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(N)Cc2cccnc2)(N(C)C)CC1.
What is the InChIKey of 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is BRCHUTRZCPTMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-6-8-16(9-7-13,19(2)3)15(17)11-14-5-4-10-18-12-14/h4-5,10,12-13,15H,6-9,11,17H2,1-3H3.
What are the key properties of 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine?
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 104736535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).