1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine

C12H28N2 — CID 62570630

IUPAC1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(C)CC(C)C
InChIInChI=1S/C12H28N2/c1-6-7-8-13-9-12(4)14(5)10-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyCBTDUTBFWMHHHD-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds8

About 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine

1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 62570630) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID62570630
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(C)CC(C)C
InChIInChI=1S/C12H28N2/c1-6-7-8-13-9-12(4)14(5)10-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyCBTDUTBFWMHHHD-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 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 ≤ 52.35
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

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
3-[methyl-[1-(tetradecylamino)propan-2-yl]amino]propanoic acid
CID 139697689
3-[methyl-[1-(octylamino)propan-2-yl]amino]propanoic acid
CID 139697683
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine
CID 103191810
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine (CID 62570630) is 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine is CCCCNCC(C)N(C)CC(C)C.
What is the InChIKey of 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is CBTDUTBFWMHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-7-8-13-9-12(4)14(5)10-11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 62570630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).