1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile

C13H24N2 — CID 65090824

IUPAC1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile
SMILESCC(C)C1CCCC(C#N)(N(C)C)CC1
InChIInChI=1S/C13H24N2/c1-11(2)12-6-5-8-13(10-14,9-7-12)15(3)4/h11-12H,5-9H2,1-4H3
InChIKeyCDRLIFOAIJDOLV-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.05
Rot. Bonds2

About 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile

1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile (PubChem CID 65090824) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile
PubChem CID65090824
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile
SMILESCC(C)C1CCCC(C#N)(N(C)C)CC1
InChIInChI=1S/C13H24N2/c1-11(2)12-6-5-8-13(10-14,9-7-12)15(3)4/h11-12H,5-9H2,1-4H3
InChIKeyCDRLIFOAIJDOLV-UHFFFAOYSA-N
XLogP3.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 62709212
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603
1-chloro-4-propan-2-ylcycloheptane-1-carbonitrile
CID 65090781
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 117039634
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449291
1-(1-hydroxy-3-propan-2-ylcyclohexyl)cyclohexane-1-carbonitrile
CID 107450654
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile (CID 65090824) is 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile is CC(C)C1CCCC(C#N)(N(C)C)CC1.
What is the InChIKey of 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile?
The InChIKey is CDRLIFOAIJDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)12-6-5-8-13(10-14,9-7-12)15(3)4/h11-12H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile?
1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-propan-2-ylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65090824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).