1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile

C15H29N3 — CID 65089402

IUPAC1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
SMILESCCCC1CCCC(C#N)(NCCN(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-6-14-7-5-9-15(13-16,10-8-14)17-11-12-18(2)3/h14,17H,4-12H2,1-3H3
InChIKeyCBTNJWIYNXJFPU-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds6

About 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile

1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile (PubChem CID 65089402) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
PubChem CID65089402
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
SMILESCCCC1CCCC(C#N)(NCCN(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-6-14-7-5-9-15(13-16,10-8-14)17-11-12-18(2)3/h14,17H,4-12H2,1-3H3
InChIKeyCBTNJWIYNXJFPU-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
CID 65088092
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449291
1-(2-azidoethylamino)-4-propylcyclohexane-1-carbonitrile
CID 66189787
4-[2-(dimethylamino)ethylamino]oxepane-4-carbonitrile
CID 65079338
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
1-(3-chloroanilino)-4-propylcycloheptane-1-carbonitrile
CID 65088959
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
1-acetyl-4-[2-(dimethylamino)ethylamino]piperidine-4-carbonitrile
CID 28703069
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
CID 62977137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile (CID 65089402) is 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile is CCCC1CCCC(C#N)(NCCN(C)C)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile?
The InChIKey is CBTNJWIYNXJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-6-14-7-5-9-15(13-16,10-8-14)17-11-12-18(2)3/h14,17H,4-12H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile?
1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65089402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).