1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine

C15H32N2 — CID 78977536

IUPAC1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
SMILESCCNC(C)CCCN(CCC(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-5-16-14(4)7-6-11-17(15-8-9-15)12-10-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyWHEIYEWOOHROJF-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.28
Rot. Bonds10

About 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine

1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine (PubChem CID 78977536) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
PubChem CID78977536
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
SMILESCCNC(C)CCCN(CCC(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-5-16-14(4)7-6-11-17(15-8-9-15)12-10-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyWHEIYEWOOHROJF-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-2-N-ethyl-3,3-dimethyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78976660
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine (CID 78977536) is 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine is CCNC(C)CCCN(CCC(C)C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine?
The InChIKey is WHEIYEWOOHROJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-16-14(4)7-6-11-17(15-8-9-15)12-10-13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine is sourced from PubChem (CID 78977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).