1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine

C14H30N2 — CID 116651397

IUPAC1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
SMILESCCCCCCC(C)N(C)C(CN)C1CC1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-12(2)16(3)14(11-15)13-9-10-13/h12-14H,4-11,15H2,1-3H3
InChIKeyWSGHOEHZKPXOBQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds9

About 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine

1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine (PubChem CID 116651397) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
PubChem CID116651397
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
SMILESCCCCCCC(C)N(C)C(CN)C1CC1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-12(2)16(3)14(11-15)13-9-10-13/h12-14H,4-11,15H2,1-3H3
InChIKeyWSGHOEHZKPXOBQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-methyl-N-octan-2-ylethane-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-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658601
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334
(2S)-2-hexyldecan-1-amine
CID 129368307
2-hexyloctadecan-1-amine
CID 87546751
2-dodecylhexadecan-1-amine
CID 23048605
1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
CID 62071758
octan-2-ylcyclopropane
CID 18968125
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine (CID 116651397) is 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine is CCCCCCC(C)N(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine?
The InChIKey is WSGHOEHZKPXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-7-8-12(2)16(3)14(11-15)13-9-10-13/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).