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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Related Compounds

2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 62421816
3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62420912
N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 176601683
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987
2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 62421973

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).