N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine

C14H29N3 — CID 28598778

IUPACN-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-16-10-6-13(7-11-16)17(2)12-14(15)8-4-3-5-9-14/h13H,3-12,15H2,1-2H3
InChIKeyLUKDPKBGGGZOAX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 28598778) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID28598778
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-16-10-6-13(7-11-16)17(2)12-14(15)8-4-3-5-9-14/h13H,3-12,15H2,1-2H3
InChIKeyLUKDPKBGGGZOAX-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2,2,6,6-Hexamethyl-4-piperidinamine
CID 547352
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
4-Amino-1,2,2,6,6-pentamethylpiperidine
CID 693792
[1-(Piperidin-1-yl)cyclohexyl]methanamine
CID 398402
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
1-(Piperidin-1-ylmethyl)cyclohexanamine
CID 6484226
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120
Piperazine, 1-ethyl-4-(4-methylcyclohexyl)-(9CI)
CID 784289
ST038767
CID 729174
Piperazine, 1-(1-ethylcyclohexyl)-4-methyl-, hydrochloride
CID 210754

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 28598778) is N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2(N)CCCCC2)CC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is LUKDPKBGGGZOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-10-6-13(7-11-16)17(2)12-14(15)8-4-3-5-9-14/h13H,3-12,15H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 28598778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).