1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

C15H26N2 — CID 54891328

IUPAC1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC1CCC(C(C)C)C(C#N)(NCC2CC2)C1
InChIInChI=1S/C15H26N2/c1-11(2)14-7-4-12(3)8-15(14,10-16)17-9-13-5-6-13/h11-14,17H,4-9H2,1-3H3
InChIKeyLEJGDXCLGLSORH-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds4

About 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 54891328) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID54891328
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC1CCC(C(C)C)C(C#N)(NCC2CC2)C1
InChIInChI=1S/C15H26N2/c1-11(2)14-7-4-12(3)8-15(14,10-16)17-9-13-5-6-13/h11-14,17H,4-9H2,1-3H3
InChIKeyLEJGDXCLGLSORH-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (CID 54891328) is 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is CC1CCC(C(C)C)C(C#N)(NCC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is LEJGDXCLGLSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)14-7-4-12(3)8-15(14,10-16)17-9-13-5-6-13/h11-14,17H,4-9H2,1-3H3.
What are the key properties of 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 54891328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).