N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine

C17H35N3 — CID 107449208

IUPACN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
SMILESCC(C)C1CCCC(CN)(NN2C(C)CCCC2C)C1
InChIInChI=1S/C17H35N3/c1-13(2)16-9-6-10-17(11-16,12-18)19-20-14(3)7-5-8-15(20)4/h13-16,19H,5-12,18H2,1-4H3
InChIKeyBSMMGEOMXLGBKE-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine

N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 107449208) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
PubChem CID107449208
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
SMILESCC(C)C1CCCC(CN)(NN2C(C)CCCC2C)C1
InChIInChI=1S/C17H35N3/c1-13(2)16-9-6-10-17(11-16,12-18)19-20-14(3)7-5-8-15(20)4/h13-16,19H,5-12,18H2,1-4H3
InChIKeyBSMMGEOMXLGBKE-UHFFFAOYSA-N
XLogP3.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine (CID 107449208) is N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine is CC(C)C1CCCC(CN)(NN2C(C)CCCC2C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is BSMMGEOMXLGBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-13(2)16-9-6-10-17(11-16,12-18)19-20-14(3)7-5-8-15(20)4/h13-16,19H,5-12,18H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine?
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 281.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 107449208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).