N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine

C14H32N2 — CID 142068040

IUPACN-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCCNCC(CCC)CN(C)CCC
InChIInChI=1S/C14H32N2/c1-5-8-10-15-12-14(9-6-2)13-16(4)11-7-3/h14-15H,5-13H2,1-4H3
InChIKeyDYVLLSJHALCJOI-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds11

About N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine

N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine (PubChem CID 142068040) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine
PubChem CID142068040
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCCNCC(CCC)CN(C)CCC
InChIInChI=1S/C14H32N2/c1-5-8-10-15-12-14(9-6-2)13-16(4)11-7-3/h14-15H,5-13H2,1-4H3
InChIKeyDYVLLSJHALCJOI-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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

1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
N,2-dipropylpentan-1-amine
CID 62530512
N'-(7-methyloctyl)-2-propylpropane-1,3-diamine
CID 107815762
N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine
CID 140640734
N,2-dipropyloctan-1-amine
CID 63497286
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170
1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62570630
N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine
CID 171081221
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
2-(butylaminomethyl)butane-1-thiol
CID 142660120
2-ethyl-N-pentylhexan-1-amine
CID 43081963

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine (CID 142068040) is N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine is CCCCNCC(CCC)CN(C)CCC.
What is the InChIKey of N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine?
The InChIKey is DYVLLSJHALCJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-8-10-15-12-14(9-6-2)13-16(4)11-7-3/h14-15H,5-13H2,1-4H3.
What are the key properties of N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine?
N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-methyl-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 142068040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).