1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine

C8H21N3 — CID 59355176

IUPAC1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
SMILESCN(C)CCNCC(C)(C)N
InChIInChI=1S/C8H21N3/c1-8(2,9)7-10-5-6-11(3)4/h10H,5-7,9H2,1-4H3
InChIKeyZQRFQTPAUDYKBF-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.13
Rot. Bonds5

About 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine (PubChem CID 59355176) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
PubChem CID59355176
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
SMILESCN(C)CCNCC(C)(C)N
InChIInChI=1S/C8H21N3/c1-8(2,9)7-10-5-6-11(3)4/h10H,5-7,9H2,1-4H3
InChIKeyZQRFQTPAUDYKBF-UHFFFAOYSA-N
XLogP-0.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane
CID 143427394
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61264894
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 52995491

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine (CID 59355176) is 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine is CN(C)CCNCC(C)(C)N.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine?
The InChIKey is ZQRFQTPAUDYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-8(2,9)7-10-5-6-11(3)4/h10H,5-7,9H2,1-4H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine has a molecular weight of 159.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 59355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).