2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile

C12H25N3 — CID 63028489

IUPAC2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
SMILESCCCCCN(C)CCC(C#N)NCC
InChIInChI=1S/C12H25N3/c1-4-6-7-9-15(3)10-8-12(11-13)14-5-2/h12,14H,4-10H2,1-3H3
InChIKeyDUMHBDVWKPJNHV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.00
Rot. Bonds9

About 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile

2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile (PubChem CID 63028489) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
PubChem CID63028489
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
SMILESCCCCCN(C)CCC(C#N)NCC
InChIInChI=1S/C12H25N3/c1-4-6-7-9-15(3)10-8-12(11-13)14-5-2/h12,14H,4-10H2,1-3H3
InChIKeyDUMHBDVWKPJNHV-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
CID 63700649
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile
CID 63029263
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)butanenitrile
CID 63029281
2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
CID 63027499
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile
CID 63028503
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
CID 63029287
3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine
CID 130305440
N-butyl-N-methylpentan-1-amine
CID 54060013
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile (CID 63028489) is 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile is CCCCCN(C)CCC(C#N)NCC.
What is the InChIKey of 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile?
The InChIKey is DUMHBDVWKPJNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-6-7-9-15(3)10-8-12(11-13)14-5-2/h12,14H,4-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile?
2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile has a molecular weight of 211.35 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile is sourced from PubChem (CID 63028489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).