N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine

C14H29N3 — CID 83010910

IUPACN-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine
SMILESCC1CCC(C)C(CN)(NN2CCCCC2)C1
InChIInChI=1S/C14H29N3/c1-12-6-7-13(2)14(10-12,11-15)16-17-8-4-3-5-9-17/h12-13,16H,3-11,15H2,1-2H3
InChIKeyPLCLLDDPEMCDRI-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.13
Rot. Bonds3

About N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine

N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine (PubChem CID 83010910) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine
PubChem CID83010910
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine
SMILESCC1CCC(C)C(CN)(NN2CCCCC2)C1
InChIInChI=1S/C14H29N3/c1-12-6-7-13(2)14(10-12,11-15)16-17-8-4-3-5-9-17/h12-13,16H,3-11,15H2,1-2H3
InChIKeyPLCLLDDPEMCDRI-UHFFFAOYSA-N
XLogP2.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine?
The IUPAC name of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine (CID 83010910) is N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine is CC1CCC(C)C(CN)(NN2CCCCC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine?
The InChIKey is PLCLLDDPEMCDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-6-7-13(2)14(10-12,11-15)16-17-8-4-3-5-9-17/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine?
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine has a molecular weight of 239.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine is sourced from PubChem (CID 83010910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).