4-(3-methylpentan-3-ylamino)butanenitrile

C10H20N2 — CID 103746698

IUPAC4-(3-methylpentan-3-ylamino)butanenitrile
SMILESCCC(C)(CC)NCCCC#N
InChIInChI=1S/C10H20N2/c1-4-10(3,5-2)12-9-7-6-8-11/h12H,4-7,9H2,1-3H3
InChIKeyKHODNFPFTGXVPB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.46
Rot. Bonds6

About 4-(3-methylpentan-3-ylamino)butanenitrile

4-(3-methylpentan-3-ylamino)butanenitrile (PubChem CID 103746698) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(3-methylpentan-3-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(3-methylpentan-3-ylamino)butanenitrile
PubChem CID103746698
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-(3-methylpentan-3-ylamino)butanenitrile
SMILESCCC(C)(CC)NCCCC#N
InChIInChI=1S/C10H20N2/c1-4-10(3,5-2)12-9-7-6-8-11/h12H,4-7,9H2,1-3H3
InChIKeyKHODNFPFTGXVPB-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.46
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

4-[(1-hydroxy-2-methylbutan-2-yl)amino]butanenitrile
CID 64549136
2-(3-cyanopropylamino)-2-methylpropanoic acid
CID 65264120
5-(2-methylpentan-2-ylamino)pentanenitrile
CID 115605289
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
4-(cyanomethylamino)butanenitrile
CID 91395805
4-ethyl-1-N-(3-methylpentan-3-yl)hexane-1,4-diamine
CID 91395306
4-(octylamino)butanenitrile
CID 78914352
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
4-(3-ethylpentan-2-ylamino)butanenitrile
CID 63836874
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 106167492

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-3-ylamino)butanenitrile?
The IUPAC name of 4-(3-methylpentan-3-ylamino)butanenitrile (CID 103746698) is 4-(3-methylpentan-3-ylamino)butanenitrile.
What is the SMILES notation for 4-(3-methylpentan-3-ylamino)butanenitrile?
The canonical SMILES for 4-(3-methylpentan-3-ylamino)butanenitrile is CCC(C)(CC)NCCCC#N.
What is the InChIKey of 4-(3-methylpentan-3-ylamino)butanenitrile?
The InChIKey is KHODNFPFTGXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10(3,5-2)12-9-7-6-8-11/h12H,4-7,9H2,1-3H3.
What are the key properties of 4-(3-methylpentan-3-ylamino)butanenitrile?
4-(3-methylpentan-3-ylamino)butanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-3-ylamino)butanenitrile is sourced from PubChem (CID 103746698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).