3-[propan-2-yl(propyl)amino]butanenitrile

C10H20N2 — CID 60914318

IUPAC3-[propan-2-yl(propyl)amino]butanenitrile
SMILESCCCN(C(C)C)C(C)CC#N
InChIInChI=1S/C10H20N2/c1-5-8-12(9(2)3)10(4)6-7-11/h9-10H,5-6,8H2,1-4H3
InChIKeyHBFNPZYJVBFIAO-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.41
Rot. Bonds5

About 3-[propan-2-yl(propyl)amino]butanenitrile

3-[propan-2-yl(propyl)amino]butanenitrile (PubChem CID 60914318) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-[propan-2-yl(propyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[propan-2-yl(propyl)amino]butanenitrile
PubChem CID60914318
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-[propan-2-yl(propyl)amino]butanenitrile
SMILESCCCN(C(C)C)C(C)CC#N
InChIInChI=1S/C10H20N2/c1-5-8-12(9(2)3)10(4)6-7-11/h9-10H,5-6,8H2,1-4H3
InChIKeyHBFNPZYJVBFIAO-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propan-2-yl)amino]pentanenitrile
CID 43265764
3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
1-N-ethyl-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62421254
3-[2-aminoethyl(methyl)amino]butanenitrile
CID 62687203
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
3-[methyl(4-methylpentyl)amino]butanenitrile
CID 83155678
(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
CID 151330879
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 62421816
2-cyano-N-propan-2-yl-N-propylacetamide
CID 43269670
3-[2-tert-butylsulfonylethyl(methyl)amino]butanenitrile
CID 103760879
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(propyl)amino]butanenitrile?
The IUPAC name of 3-[propan-2-yl(propyl)amino]butanenitrile (CID 60914318) is 3-[propan-2-yl(propyl)amino]butanenitrile.
What is the SMILES notation for 3-[propan-2-yl(propyl)amino]butanenitrile?
The canonical SMILES for 3-[propan-2-yl(propyl)amino]butanenitrile is CCCN(C(C)C)C(C)CC#N.
What is the InChIKey of 3-[propan-2-yl(propyl)amino]butanenitrile?
The InChIKey is HBFNPZYJVBFIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8-12(9(2)3)10(4)6-7-11/h9-10H,5-6,8H2,1-4H3.
What are the key properties of 3-[propan-2-yl(propyl)amino]butanenitrile?
3-[propan-2-yl(propyl)amino]butanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(propyl)amino]butanenitrile is sourced from PubChem (CID 60914318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).