2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile

C16H29N3 — CID 65282324

IUPAC2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCCC(C)(C)CC1)C1CC1
InChIInChI=1S/C16H29N3/c1-4-18-16(12-17,14-6-7-14)13-19-10-5-8-15(2,3)9-11-19/h14,18H,4-11,13H2,1-3H3
InChIKeyFHHBBFOXNXQJTN-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile (PubChem CID 65282324) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
PubChem CID65282324
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCCC(C)(C)CC1)C1CC1
InChIInChI=1S/C16H29N3/c1-4-18-16(12-17,14-6-7-14)13-19-10-5-8-15(2,3)9-11-19/h14,18H,4-11,13H2,1-3H3
InChIKeyFHHBBFOXNXQJTN-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methyl-9-propan-2-yl-4,7-diazaspiro[2.6]nonane
CID 164553448
9-Ethyl-9-methyl-4,7-diazaspiro[2.6]nonane
CID 164553946
2-(1,4-Diazepan-1-yl)-2-ethyl-4-methylhexanenitrile
CID 54889176
2-(1,4-Diazepan-1-yl)-2,3-dimethylpentanenitrile
CID 61005809
2-(1,4-Diazepan-1-yl)-2,5-dimethylhexanenitrile
CID 61006060
2-Cyclopropyl-2-(1,4-diazepan-1-yl)propanenitrile
CID 61006277
6-(Azepan-1-yl)-2-(cyclopropylamino)-2-methylhexanenitrile
CID 61903723
2-(Cyclopropylamino)-2-methyl-6-(4-methyl-1,4-diazepan-1-yl)hexanenitrile
CID 61907211
2-(Cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-Methyl-3-(4-methylazepan-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63622300
2-(Cyclopropylamino)-2-methyl-4-(4-methylazepan-1-yl)butanenitrile
CID 63622301
2-Methyl-5-(4-methylazepan-1-yl)-2-(propylamino)pentanenitrile
CID 63622477

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile (CID 65282324) is 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile is CCNC(C#N)(CN1CCCC(C)(C)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile?
The InChIKey is FHHBBFOXNXQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-18-16(12-17,14-6-7-14)13-19-10-5-8-15(2,3)9-11-19/h14,18H,4-11,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 65282324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).