1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine

C16H30N2 — CID 64500122

IUPAC1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(CN)(N(CC2CC2)CC2CC2)C1
InChIInChI=1S/C16H30N2/c1-2-13-7-8-16(9-13,12-17)18(10-14-3-4-14)11-15-5-6-15/h13-15H,2-12,17H2,1H3
InChIKeyVDKGNEMZXTWOPP-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.02
Rot. Bonds7

About 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine

1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine (PubChem CID 64500122) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
PubChem CID64500122
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(CN)(N(CC2CC2)CC2CC2)C1
InChIInChI=1S/C16H30N2/c1-2-13-7-8-16(9-13,12-17)18(10-14-3-4-14)11-15-5-6-15/h13-15H,2-12,17H2,1H3
InChIKeyVDKGNEMZXTWOPP-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-methylcyclobutan-1-amine
CID 103562943
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 62384555
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961
2-N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188191
3-(aminomethyl)-N,N-bis(cyclopropylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467695
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyloxolan-3-amine
CID 82734585

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine (CID 64500122) is 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine is CCC1CCC(CN)(N(CC2CC2)CC2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine?
The InChIKey is VDKGNEMZXTWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-13-7-8-16(9-13,12-17)18(10-14-3-4-14)11-15-5-6-15/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine?
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64500122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).