1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine

C17H29N3 — CID 63264720

IUPAC1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
SMILESCCN(CCc1cccnc1)C1(CN)CCCCCC1
InChIInChI=1S/C17H29N3/c1-2-20(13-9-16-8-7-12-19-14-16)17(15-18)10-5-3-4-6-11-17/h7-8,12,14H,2-6,9-11,13,15,18H2,1H3
InChIKeyNKWRBRJXIRCOGI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.00
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine (PubChem CID 63264720) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
PubChem CID63264720
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
SMILESCCN(CCc1cccnc1)C1(CN)CCCCCC1
InChIInChI=1S/C17H29N3/c1-2-20(13-9-16-8-7-12-19-14-16)17(15-18)10-5-3-4-6-11-17/h7-8,12,14H,2-6,9-11,13,15,18H2,1H3
InChIKeyNKWRBRJXIRCOGI-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264545
1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264588
1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
CID 62008128
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
CID 62008932
1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
CID 62010529
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
CID 62006003

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine (CID 63264720) is 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine is CCN(CCc1cccnc1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine?
The InChIKey is NKWRBRJXIRCOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-20(13-9-16-8-7-12-19-14-16)17(15-18)10-5-3-4-6-11-17/h7-8,12,14H,2-6,9-11,13,15,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 63264720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).