N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine

C15H34N2 — CID 55069340

IUPACN'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
SMILESCCCCN(CCCCNCCC)C(C)CC
InChIInChI=1S/C15H34N2/c1-5-8-13-17(15(4)7-3)14-10-9-12-16-11-6-2/h15-16H,5-14H2,1-4H3
InChIKeyXBHBIYGEGRRNQU-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.67
Rot. Bonds12

About N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine

N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine (PubChem CID 55069340) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
PubChem CID55069340
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
SMILESCCCCN(CCCCNCCC)C(C)CC
InChIInChI=1S/C15H34N2/c1-5-8-13-17(15(4)7-3)14-10-9-12-16-11-6-2/h15-16H,5-14H2,1-4H3
InChIKeyXBHBIYGEGRRNQU-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.67
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'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
CID 62426328
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 63493237
2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
CID 63492058
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
N-propylhexadecan-1-amine
CID 18792182
N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 62412291
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine (CID 55069340) is N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine is CCCCN(CCCCNCCC)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine?
The InChIKey is XBHBIYGEGRRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-8-13-17(15(4)7-3)14-10-9-12-16-11-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine?
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine is sourced from PubChem (CID 55069340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).