2-(cyclopropylmethylamino)-2-methylheptanenitrile

C12H22N2 — CID 80557594

IUPAC2-(cyclopropylmethylamino)-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)NCC1CC1
InChIInChI=1S/C12H22N2/c1-3-4-5-8-12(2,10-13)14-9-11-6-7-11/h11,14H,3-9H2,1-2H3
InChIKeyYOOYKZROZPQMRS-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds7

About 2-(cyclopropylmethylamino)-2-methylheptanenitrile

2-(cyclopropylmethylamino)-2-methylheptanenitrile (PubChem CID 80557594) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-methylheptanenitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-methylheptanenitrile
PubChem CID80557594
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(cyclopropylmethylamino)-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)NCC1CC1
InChIInChI=1S/C12H22N2/c1-3-4-5-8-12(2,10-13)14-9-11-6-7-11/h11,14H,3-9H2,1-2H3
InChIKeyYOOYKZROZPQMRS-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-2-propylpentanenitrile
CID 60996496
2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
2-(cyclopropylmethylamino)-2-methylpropanenitrile
CID 60995083
2-(3-hydroxypropylamino)-2-methylnonanenitrile
CID 62588050
methyl 2-(cyclopropylmethylamino)-2-methylnonanoate
CID 54894023
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 104968525
2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
CID 60996499
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
5-(cyclopentylmethylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 63120126
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)hexanenitrile
CID 79184004

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-methylheptanenitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-methylheptanenitrile (CID 80557594) is 2-(cyclopropylmethylamino)-2-methylheptanenitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-methylheptanenitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-methylheptanenitrile is CCCCCC(C)(C#N)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-methylheptanenitrile?
The InChIKey is YOOYKZROZPQMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-5-8-12(2,10-13)14-9-11-6-7-11/h11,14H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-methylheptanenitrile?
2-(cyclopropylmethylamino)-2-methylheptanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-methylheptanenitrile is sourced from PubChem (CID 80557594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).