N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine

C13H28N2 — CID 62262847

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1(CN)CCCC1
InChIInChI=1S/C13H28N2/c1-3-5-10-15(4-2)12-13(11-14)8-6-7-9-13/h3-12,14H2,1-2H3
InChIKeyIIMSTOHNXMBSCQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine

N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine (PubChem CID 62262847) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
PubChem CID62262847
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1(CN)CCCC1
InChIInChI=1S/C13H28N2/c1-3-5-10-15(4-2)12-13(11-14)8-6-7-9-13/h3-12,14H2,1-2H3
InChIKeyIIMSTOHNXMBSCQ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852457
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 63133103
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
CID 64585628
(1-pentylcyclopentyl)methanamine
CID 62725889
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664
N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine (CID 62262847) is N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine is CCCCN(CC)CC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine?
The InChIKey is IIMSTOHNXMBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-10-15(4-2)12-13(11-14)8-6-7-9-13/h3-12,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 62262847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).