1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine

C13H28N2O — CID 81100919

IUPAC1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2O/c1-11(2)9-15(13-6-7-13)10-12(14)5-4-8-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyDPJXMIKAOQVVHR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds9

About 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine

1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 81100919) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID81100919
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2O/c1-11(2)9-15(13-6-7-13)10-12(14)5-4-8-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyDPJXMIKAOQVVHR-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 81101876
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
1-methoxy-7-methyloctan-4-amine
CID 62603924
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
CID 81101623
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81101889
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine (CID 81100919) is 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine is COCCCC(N)CN(CC(C)C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is DPJXMIKAOQVVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)9-15(13-6-7-13)10-12(14)5-4-8-16-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine?
1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 81100919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).