N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine

C16H32N2 — CID 78989930

IUPACN,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCN(CCCCCNC1CC1)C1CC1
InChIInChI=1S/C16H32N2/c1-14(2)10-13-18(16-8-9-16)12-5-3-4-11-17-15-6-7-15/h14-17H,3-13H2,1-2H3
InChIKeySSYKOOOMKGZQRP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds11

About N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine

N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine (PubChem CID 78989930) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
PubChem CID78989930
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCN(CCCCCNC1CC1)C1CC1
InChIInChI=1S/C16H32N2/c1-14(2)10-13-18(16-8-9-16)12-5-3-4-11-17-15-6-7-15/h14-17H,3-13H2,1-2H3
InChIKeySSYKOOOMKGZQRP-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
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

N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 55089565
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
CID 78977480
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The IUPAC name of N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine (CID 78989930) is N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine is CC(C)CCN(CCCCCNC1CC1)C1CC1.
What is the InChIKey of N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine?
The InChIKey is SSYKOOOMKGZQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)10-13-18(16-8-9-16)12-5-3-4-11-17-15-6-7-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine?
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine is sourced from PubChem (CID 78989930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).