N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide

C17H32ClNO — CID 114304010

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
SMILESCCCCCCCCC(=O)NC1(CCl)CCCC(C)C1
InChIInChI=1S/C17H32ClNO/c1-3-4-5-6-7-8-11-16(20)19-17(14-18)12-9-10-15(2)13-17/h15H,3-14H2,1-2H3,(H,19,20)
InChIKeySKXFQKXFGAKQSR-UHFFFAOYSA-N
MW301.90 g/mol
LogP5.04
Rot. Bonds9

About N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide

N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide (PubChem CID 114304010) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
PubChem CID114304010
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
SMILESCCCCCCCCC(=O)NC1(CCl)CCCC(C)C1
InChIInChI=1S/C17H32ClNO/c1-3-4-5-6-7-8-11-16(20)19-17(14-18)12-9-10-15(2)13-17/h15H,3-14H2,1-2H3,(H,19,20)
InChIKeySKXFQKXFGAKQSR-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.90
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
CID 114304094
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-ethylbutanamide
CID 114304013
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
CID 114303922
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide (CID 114304010) is N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide is CCCCCCCCC(=O)NC1(CCl)CCCC(C)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide?
The InChIKey is SKXFQKXFGAKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClNO/c1-3-4-5-6-7-8-11-16(20)19-17(14-18)12-9-10-15(2)13-17/h15H,3-14H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide has a molecular weight of 301.90 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide is sourced from PubChem (CID 114304010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).