1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine

C17H34N2 — CID 65088620

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CCCC(CC)CC1
InChIInChI=1S/C17H34N2/c1-3-12-19(13-16-7-8-16)17(14-18)10-5-6-15(4-2)9-11-17/h15-16H,3-14,18H2,1-2H3
InChIKeyZRYBNZKGXIZCOD-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.80
Rot. Bonds7

About 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine (PubChem CID 65088620) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
PubChem CID65088620
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CCCC(CC)CC1
InChIInChI=1S/C17H34N2/c1-3-12-19(13-16-7-8-16)17(14-18)10-5-6-15(4-2)9-11-17/h15-16H,3-14,18H2,1-2H3
InChIKeyZRYBNZKGXIZCOD-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 62384555
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759040
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
CID 64500122
1-(aminomethyl)-N-butyl-N-cyclopropyl-4-ethylcycloheptan-1-amine
CID 65087923
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64750874
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine (CID 65088620) is 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine is CCCN(CC1CC1)C1(CN)CCCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine?
The InChIKey is ZRYBNZKGXIZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-12-19(13-16-7-8-16)17(14-18)10-5-6-15(4-2)9-11-17/h15-16H,3-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine is sourced from PubChem (CID 65088620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).