4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine

C14H21ClN2 — CID 83167821

IUPAC4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine
SMILESCCC1CCCC(Nc2cnccc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-2-11-4-3-5-12(7-6-11)17-14-10-16-9-8-13(14)15/h8-12,17H,2-7H2,1H3
InChIKeyNLSHGCFQPKFMSG-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.51
Rot. Bonds3

About 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine

4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine (PubChem CID 83167821) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine
PubChem CID83167821
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine
SMILESCCC1CCCC(Nc2cnccc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-2-11-4-3-5-12(7-6-11)17-14-10-16-9-8-13(14)15/h8-12,17H,2-7H2,1H3
InChIKeyNLSHGCFQPKFMSG-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
CID 83167830
4-chloro-N-cyclooctylpyridin-3-amine
CID 83166915
3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678524
N-(2-chloro-4-iodophenyl)-4-ethylcycloheptan-1-amine
CID 65083669
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
6-chloro-N-(4-ethylcycloheptyl)quinolin-8-amine
CID 65083838
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
N-(4-propylcycloheptyl)isoquinolin-5-amine
CID 65086322
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615
4-methyl-N-(4-propylcyclohexyl)pyridin-3-amine
CID 63464553
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-(4-ethylcycloheptyl)-1H-indazol-4-amine
CID 65083545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine (CID 83167821) is 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine is CCC1CCCC(Nc2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine?
The InChIKey is NLSHGCFQPKFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-11-4-3-5-12(7-6-11)17-14-10-16-9-8-13(14)15/h8-12,17H,2-7H2,1H3.
What are the key properties of 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine?
4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine is sourced from PubChem (CID 83167821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).