N-ethyl-2-pyridin-3-ylcycloheptan-1-amine

C14H22N2 — CID 62604063

IUPACN-ethyl-2-pyridin-3-ylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cccnc1
InChIInChI=1S/C14H22N2/c1-2-16-14-9-5-3-4-8-13(14)12-7-6-10-15-11-12/h6-7,10-11,13-14,16H,2-5,8-9H2,1H3
InChIKeyFFDDKJQRIQVRRJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.11
Rot. Bonds3

About N-ethyl-2-pyridin-3-ylcycloheptan-1-amine

N-ethyl-2-pyridin-3-ylcycloheptan-1-amine (PubChem CID 62604063) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-2-pyridin-3-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-pyridin-3-ylcycloheptan-1-amine
PubChem CID62604063
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-2-pyridin-3-ylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cccnc1
InChIInChI=1S/C14H22N2/c1-2-16-14-9-5-3-4-8-13(14)12-7-6-10-15-11-12/h6-7,10-11,13-14,16H,2-5,8-9H2,1H3
InChIKeyFFDDKJQRIQVRRJ-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
N-ethyl-2-quinolin-7-ylcycloheptan-1-amine
CID 81224624
N-ethyl-2-(1-methylpyrazol-4-yl)cycloheptan-1-amine
CID 62605145
N-ethyl-2-(5-methyl-3-pyridinyl)cyclopentan-1-amine
CID 115375195
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
methyl 2-(2-pyridin-3-ylcycloheptyl)acetate
CID 82244502
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 62604588
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyridin-3-ylcycloheptan-1-amine?
The IUPAC name of N-ethyl-2-pyridin-3-ylcycloheptan-1-amine (CID 62604063) is N-ethyl-2-pyridin-3-ylcycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-pyridin-3-ylcycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-pyridin-3-ylcycloheptan-1-amine is CCNC1CCCCCC1c1cccnc1.
What is the InChIKey of N-ethyl-2-pyridin-3-ylcycloheptan-1-amine?
The InChIKey is FFDDKJQRIQVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-16-14-9-5-3-4-8-13(14)12-7-6-10-15-11-12/h6-7,10-11,13-14,16H,2-5,8-9H2,1H3.
What are the key properties of N-ethyl-2-pyridin-3-ylcycloheptan-1-amine?
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyridin-3-ylcycloheptan-1-amine is sourced from PubChem (CID 62604063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).