1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine

C13H28N2 — CID 114752713

IUPAC1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine
SMILESCCCCCCCNC(C)CNC1CC1
InChIInChI=1S/C13H28N2/c1-3-4-5-6-7-10-14-12(2)11-15-13-8-9-13/h12-15H,3-11H2,1-2H3
InChIKeyZYRWMQFGFUETSU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.69
Rot. Bonds10

About 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine

1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine (PubChem CID 114752713) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine
PubChem CID114752713
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine
SMILESCCCCCCCNC(C)CNC1CC1
InChIInChI=1S/C13H28N2/c1-3-4-5-6-7-10-14-12(2)11-15-13-8-9-13/h12-15H,3-11H2,1-2H3
InChIKeyZYRWMQFGFUETSU-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
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N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine (CID 114752713) is 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine is CCCCCCCNC(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine?
The InChIKey is ZYRWMQFGFUETSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-5-6-7-10-14-12(2)11-15-13-8-9-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine?
1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine is sourced from PubChem (CID 114752713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).