2-(2-methylpropyl)-N'-octylbutane-1,4-diamine

C16H36N2 — CID 113337410

IUPAC2-(2-methylpropyl)-N'-octylbutane-1,4-diamine
SMILESCCCCCCCCNCCC(CN)CC(C)C
InChIInChI=1S/C16H36N2/c1-4-5-6-7-8-9-11-18-12-10-16(14-17)13-15(2)3/h15-16,18H,4-14,17H2,1-3H3
InChIKeyHFETUFVDTADNKZ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.95
Rot. Bonds13

About 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine

2-(2-methylpropyl)-N'-octylbutane-1,4-diamine (PubChem CID 113337410) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine.

Molecular Properties

Compound Name2-(2-methylpropyl)-N'-octylbutane-1,4-diamine
PubChem CID113337410
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-(2-methylpropyl)-N'-octylbutane-1,4-diamine
SMILESCCCCCCCCNCCC(CN)CC(C)C
InChIInChI=1S/C16H36N2/c1-4-5-6-7-8-9-11-18-12-10-16(14-17)13-15(2)3/h15-16,18H,4-14,17H2,1-3H3
InChIKeyHFETUFVDTADNKZ-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)decan-1-amine
CID 63498111
2-(2-methylpropyl)heptan-1-amine
CID 62505521
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
CID 154328123
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N-hexylhexan-1-amine;methanamine
CID 22649908

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine?
The IUPAC name of 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine (CID 113337410) is 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine.
What is the SMILES notation for 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine?
The canonical SMILES for 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine is CCCCCCCCNCCC(CN)CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine?
The InChIKey is HFETUFVDTADNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-4-5-6-7-8-9-11-18-12-10-16(14-17)13-15(2)3/h15-16,18H,4-14,17H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine?
2-(2-methylpropyl)-N'-octylbutane-1,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.95, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N'-octylbutane-1,4-diamine is sourced from PubChem (CID 113337410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).