1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine

C14H30N2 — CID 64500961

IUPAC1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
SMILESCCCCCN(C)C1(CN)CCC(CC)C1
InChIInChI=1S/C14H30N2/c1-4-6-7-10-16(3)14(12-15)9-8-13(5-2)11-14/h13H,4-12,15H2,1-3H3
InChIKeyYYSPSZPVYRNIJF-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.02
Rot. Bonds7

About 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine

1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine (PubChem CID 64500961) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
PubChem CID64500961
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
SMILESCCCCCN(C)C1(CN)CCC(CC)C1
InChIInChI=1S/C14H30N2/c1-4-6-7-10-16(3)14(12-15)9-8-13(5-2)11-14/h13H,4-12,15H2,1-3H3
InChIKeyYYSPSZPVYRNIJF-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658082
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
CID 64500122
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
CID 63890528

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine (CID 64500961) is 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine is CCCCCN(C)C1(CN)CCC(CC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine?
The InChIKey is YYSPSZPVYRNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-7-10-16(3)14(12-15)9-8-13(5-2)11-14/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine?
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine has a molecular weight of 226.41 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)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine is sourced from PubChem (CID 64500961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).