1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine

C18H31N3 — CID 62008128

IUPAC1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
SMILESCCCN(CCc1ccncc1)C1(CN)CCCCCC1
InChIInChI=1S/C18H31N3/c1-2-14-21(15-9-17-7-12-20-13-8-17)18(16-19)10-5-3-4-6-11-18/h7-8,12-13H,2-6,9-11,14-16,19H2,1H3
InChIKeyOJJVQBOUXOTOEM-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.39
Rot. Bonds7

About 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine

1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine (PubChem CID 62008128) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
PubChem CID62008128
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
SMILESCCCN(CCc1ccncc1)C1(CN)CCCCCC1
InChIInChI=1S/C18H31N3/c1-2-14-21(15-9-17-7-12-20-13-8-17)18(16-19)10-5-3-4-6-11-18/h7-8,12-13H,2-6,9-11,14-16,19H2,1H3
InChIKeyOJJVQBOUXOTOEM-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
CID 62006003
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
CID 63264720
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264545
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
4-(aminomethyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54945376
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128
4-(aminomethyl)-N-ethyl-1-propyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 61450858
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridin-4-ylethyl)thiolan-3-amine
CID 63162824
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine (CID 62008128) is 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine is CCCN(CCc1ccncc1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine?
The InChIKey is OJJVQBOUXOTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-14-21(15-9-17-7-12-20-13-8-17)18(16-19)10-5-3-4-6-11-18/h7-8,12-13H,2-6,9-11,14-16,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 62008128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).