3-[3-(dimethylamino)propylamino]pentanenitrile

C10H21N3 — CID 43368688

IUPAC3-[3-(dimethylamino)propylamino]pentanenitrile
SMILESCCC(CC#N)NCCCN(C)C
InChIInChI=1S/C10H21N3/c1-4-10(6-7-11)12-8-5-9-13(2)3/h10,12H,4-6,8-9H2,1-3H3
InChIKeyDXNKJVMPOJOVBC-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.22
Rot. Bonds7

About 3-[3-(dimethylamino)propylamino]pentanenitrile

3-[3-(dimethylamino)propylamino]pentanenitrile (PubChem CID 43368688) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]pentanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]pentanenitrile
PubChem CID43368688
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-[3-(dimethylamino)propylamino]pentanenitrile
SMILESCCC(CC#N)NCCCN(C)C
InChIInChI=1S/C10H21N3/c1-4-10(6-7-11)12-8-5-9-13(2)3/h10,12H,4-6,8-9H2,1-3H3
InChIKeyDXNKJVMPOJOVBC-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propylamino]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-cyanobutan-2-ylamino)propyl]-N-ethylmethanesulfonamide
CID 54903442
3-[3-[benzyl(methyl)amino]propylamino]pentanenitrile
CID 43175206
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
3-(7-methyloctylamino)pentanenitrile
CID 107815048
3-(2-methoxyethylamino)pentanenitrile
CID 43367995
3-(4-propan-2-yloxybutylamino)pentanenitrile
CID 106010161
3-(3-cyclopentylpropylamino)pentanenitrile
CID 106010678
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
2-(1-cyanobutan-2-ylamino)ethylurea
CID 83112708
3-(2,2,2-trifluoroethylamino)pentanenitrile
CID 43368798
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
4-(dimethylamino)butanenitrile;hydrobromide
CID 46786342

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]pentanenitrile?
The IUPAC name of 3-[3-(dimethylamino)propylamino]pentanenitrile (CID 43368688) is 3-[3-(dimethylamino)propylamino]pentanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]pentanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]pentanenitrile is CCC(CC#N)NCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]pentanenitrile?
The InChIKey is DXNKJVMPOJOVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-10(6-7-11)12-8-5-9-13(2)3/h10,12H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propylamino]pentanenitrile?
3-[3-(dimethylamino)propylamino]pentanenitrile has a molecular weight of 183.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]pentanenitrile is sourced from PubChem (CID 43368688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).