1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine

C13H28N2O — CID 62010356

IUPAC1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine
SMILESCCCN(CCCOC)C1(CN)CCCC1
InChIInChI=1S/C13H28N2O/c1-3-9-15(10-6-11-16-2)13(12-14)7-4-5-8-13/h3-12,14H2,1-2H3
InChIKeyWTCAJXZWWDMQNK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.01
Rot. Bonds8

About 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine

1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine (PubChem CID 62010356) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine
PubChem CID62010356
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine
SMILESCCCN(CCCOC)C1(CN)CCCC1
InChIInChI=1S/C13H28N2O/c1-3-9-15(10-6-11-16-2)13(12-14)7-4-5-8-13/h3-12,14H2,1-2H3
InChIKeyWTCAJXZWWDMQNK-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine (CID 62010356) is 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine is CCCN(CCCOC)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine?
The InChIKey is WTCAJXZWWDMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-9-15(10-6-11-16-2)13(12-14)7-4-5-8-13/h3-12,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine?
1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methoxypropyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62010356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).