2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide

C15H27N3O — CID 61451215

IUPAC2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCCCC1C#N
InChIInChI=1S/C15H27N3O/c1-4-18(5-2)15(19)12-17(3)14-10-8-6-7-9-13(14)11-16/h13-14H,4-10,12H2,1-3H3
InChIKeyKHJQWYUXOQKELB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds5

About 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide

2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide (PubChem CID 61451215) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
PubChem CID61451215
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCCCC1C#N
InChIInChI=1S/C15H27N3O/c1-4-18(5-2)15(19)12-17(3)14-10-8-6-7-9-13(14)11-16/h13-14H,4-10,12H2,1-3H3
InChIKeyKHJQWYUXOQKELB-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577152
2-[(2-hydroxy-2-methylpropyl)-methylamino]cycloheptane-1-carbonitrile
CID 79382333
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 63956187
2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 43295782
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 55226719
N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 86910482
2-[methyl(3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 61430050
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
2-[(4-methoxyphenyl)methyl-methylamino]cycloheptane-1-carbonitrile
CID 61420333

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide (CID 61451215) is 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C1CCCCCC1C#N.
What is the InChIKey of 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is KHJQWYUXOQKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-18(5-2)15(19)12-17(3)14-10-8-6-7-9-13(14)11-16/h13-14H,4-10,12H2,1-3H3.
What are the key properties of 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide?
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 265.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 61451215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).