N-(2-chloropropyl)-N-methylcycloheptanecarboxamide

C12H22ClNO — CID 63393755

IUPACN-(2-chloropropyl)-N-methylcycloheptanecarboxamide
SMILESCC(Cl)CN(C)C(=O)C1CCCCCC1
InChIInChI=1S/C12H22ClNO/c1-10(13)9-14(2)12(15)11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyUYZSTSAVDOEGOF-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.04
Rot. Bonds3

About N-(2-chloropropyl)-N-methylcycloheptanecarboxamide

N-(2-chloropropyl)-N-methylcycloheptanecarboxamide (PubChem CID 63393755) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methylcycloheptanecarboxamide
PubChem CID63393755
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(2-chloropropyl)-N-methylcycloheptanecarboxamide
SMILESCC(Cl)CN(C)C(=O)C1CCCCCC1
InChIInChI=1S/C12H22ClNO/c1-10(13)9-14(2)12(15)11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyUYZSTSAVDOEGOF-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide
CID 65020722
N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
CID 63397916
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide
CID 114823103
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methylcycloheptanecarboxamide?
The IUPAC name of N-(2-chloropropyl)-N-methylcycloheptanecarboxamide (CID 63393755) is N-(2-chloropropyl)-N-methylcycloheptanecarboxamide.
What is the SMILES notation for N-(2-chloropropyl)-N-methylcycloheptanecarboxamide?
The canonical SMILES for N-(2-chloropropyl)-N-methylcycloheptanecarboxamide is CC(Cl)CN(C)C(=O)C1CCCCCC1.
What is the InChIKey of N-(2-chloropropyl)-N-methylcycloheptanecarboxamide?
The InChIKey is UYZSTSAVDOEGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-10(13)9-14(2)12(15)11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-N-methylcycloheptanecarboxamide?
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide has a molecular weight of 231.77 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methylcycloheptanecarboxamide is sourced from PubChem (CID 63393755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).