3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine

C14H30N2 — CID 62420483

IUPAC3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
SMILESCCCN(C(C)CCNCC(C)C)C1CC1
InChIInChI=1S/C14H30N2/c1-5-10-16(14-6-7-14)13(4)8-9-15-11-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyZJAUCTQFWHLKRB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds9

About 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine

3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine (PubChem CID 62420483) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
PubChem CID62420483
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
SMILESCCCN(C(C)CCNCC(C)C)C1CC1
InChIInChI=1S/C14H30N2/c1-5-10-16(14-6-7-14)13(4)8-9-15-11-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyZJAUCTQFWHLKRB-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 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 ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine (CID 62420483) is 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine is CCCN(C(C)CCNCC(C)C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
The InChIKey is ZJAUCTQFWHLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-10-16(14-6-7-14)13(4)8-9-15-11-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 62420483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).