1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine

C15H30N2 — CID 62429378

IUPAC1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCC(C)CN(C(C)CCCNC1CC1)C1CC1
InChIInChI=1S/C15H30N2/c1-12(2)11-17(15-8-9-15)13(3)5-4-10-16-14-6-7-14/h12-16H,4-11H2,1-3H3
InChIKeyVQYATDNLWUKWTC-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds9

About 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine

1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine (PubChem CID 62429378) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
PubChem CID62429378
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCC(C)CN(C(C)CCCNC1CC1)C1CC1
InChIInChI=1S/C15H30N2/c1-12(2)11-17(15-8-9-15)13(3)5-4-10-16-14-6-7-14/h12-16H,4-11H2,1-3H3
InChIKeyVQYATDNLWUKWTC-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987
4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62430254
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
CID 55072495
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N-(4-methylhexyl)cyclopropanamine
CID 62529631
1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436358
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine (CID 62429378) is 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine is CC(C)CN(C(C)CCCNC1CC1)C1CC1.
What is the InChIKey of 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
The InChIKey is VQYATDNLWUKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)11-17(15-8-9-15)13(3)5-4-10-16-14-6-7-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine is sourced from PubChem (CID 62429378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).