2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile

C9H19N3 — CID 61480297

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
SMILESCC(C)C(CN(C)C)NCC#N
InChIInChI=1S/C9H19N3/c1-8(2)9(7-12(3)4)11-6-5-10/h8-9,11H,6-7H2,1-4H3
InChIKeyNJCRXVSYOJTCOP-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.69
Rot. Bonds5

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile (PubChem CID 61480297) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
PubChem CID61480297
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
SMILESCC(C)C(CN(C)C)NCC#N
InChIInChI=1S/C9H19N3/c1-8(2)9(7-12(3)4)11-6-5-10/h8-9,11H,6-7H2,1-4H3
InChIKeyNJCRXVSYOJTCOP-UHFFFAOYSA-N
XLogP0.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477125
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 54958837
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-ynyl)butane-1,2-diamine
CID 62340036
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,5-difluorobenzonitrile
CID 107038179
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
1-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]cycloheptan-1-ol
CID 54954236
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411042
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile (CID 61480297) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile is CC(C)C(CN(C)C)NCC#N.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile?
The InChIKey is NJCRXVSYOJTCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)9(7-12(3)4)11-6-5-10/h8-9,11H,6-7H2,1-4H3.
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile has a molecular weight of 169.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile is sourced from PubChem (CID 61480297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).