N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine

C12H28N2 — CID 62263205

IUPACN'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCCN(C)CC(C)(CN)CCC
InChIInChI=1S/C12H28N2/c1-5-7-9-14(4)11-12(3,10-13)8-6-2/h5-11,13H2,1-4H3
InChIKeyONSUQQADDRMCSM-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds8

About N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine

N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine (PubChem CID 62263205) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
PubChem CID62263205
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCCN(C)CC(C)(CN)CCC
InChIInChI=1S/C12H28N2/c1-5-7-9-14(4)11-12(3,10-13)8-6-2/h5-11,13H2,1-4H3
InChIKeyONSUQQADDRMCSM-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
2-[[butyl(methyl)amino]methyl]-2-methylbutan-1-ol
CID 62271452
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
N',N',2-trimethyl-2-propylbutane-1,4-diamine
CID 167480826
2-methyl-2-propyldodecan-1-amine
CID 55195079
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155
N-butyl-N,4,4-trimethylpentan-1-amine
CID 58300817
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
CID 63701294
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
2-methyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259708

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine (CID 62263205) is N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine is CCCCN(C)CC(C)(CN)CCC.
What is the InChIKey of N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine?
The InChIKey is ONSUQQADDRMCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-9-14(4)11-12(3,10-13)8-6-2/h5-11,13H2,1-4H3.
What are the key properties of N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine?
N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62263205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).