1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine

C14H30N2O — CID 104647261

IUPAC1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
SMILESCCCN(CCCCOC)C1(CN)CCCC1
InChIInChI=1S/C14H30N2O/c1-3-10-16(11-6-7-12-17-2)14(13-15)8-4-5-9-14/h3-13,15H2,1-2H3
InChIKeyOPEYBYDQZPHDMX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.40
Rot. Bonds9

About 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine

1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine (PubChem CID 104647261) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
PubChem CID104647261
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
SMILESCCCN(CCCCOC)C1(CN)CCCC1
InChIInChI=1S/C14H30N2O/c1-3-10-16(11-6-7-12-17-2)14(13-15)8-4-5-9-14/h3-13,15H2,1-2H3
InChIKeyOPEYBYDQZPHDMX-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.40
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-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine
CID 62009945
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,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 63289931
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine (CID 104647261) is 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine is CCCN(CCCCOC)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine?
The InChIKey is OPEYBYDQZPHDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-10-16(11-6-7-12-17-2)14(13-15)8-4-5-9-14/h3-13,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine?
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 104647261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).