1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine

C15H32N2O — CID 62009945

IUPAC1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine
SMILESCCCCOCCN(CCC)C1(CN)CCCC1
InChIInChI=1S/C15H32N2O/c1-3-5-12-18-13-11-17(10-4-2)15(14-16)8-6-7-9-15/h3-14,16H2,1-2H3
InChIKeyOZNWKHGZGYLXKM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.79
Rot. Bonds10

About 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine

1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine (PubChem CID 62009945) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine
PubChem CID62009945
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine
SMILESCCCCOCCN(CCC)C1(CN)CCCC1
InChIInChI=1S/C15H32N2O/c1-3-5-12-18-13-11-17(10-4-2)15(14-16)8-6-7-9-15/h3-14,16H2,1-2H3
InChIKeyOZNWKHGZGYLXKM-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261
1-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylcyclopentan-1-amine
CID 62009346
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
CID 103178113
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-ethyl-N-[2-(3-methylbutoxy)ethyl]cycloheptan-1-amine
CID 62007525
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65088625
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine (CID 62009945) is 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine is CCCCOCCN(CCC)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine?
The InChIKey is OZNWKHGZGYLXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-12-18-13-11-17(10-4-2)15(14-16)8-6-7-9-15/h3-14,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine?
1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62009945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).