N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide

C16H28ClNO — CID 103969470

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H28ClNO/c17-12-16(10-4-1-5-11-16)13-18-15(19)9-8-14-6-2-3-7-14/h14H,1-13H2,(H,18,19)
InChIKeyPYHBOELKYJNLEQ-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.26
Rot. Bonds6

About N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide (PubChem CID 103969470) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
PubChem CID103969470
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H28ClNO/c17-12-16(10-4-1-5-11-16)13-18-15(19)9-8-14-6-2-3-7-14/h14H,1-13H2,(H,18,19)
InChIKeyPYHBOELKYJNLEQ-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
CID 114757993
3-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272150
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
3-cyclopentyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751583
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide (CID 103969470) is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide?
The InChIKey is PYHBOELKYJNLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c17-12-16(10-4-1-5-11-16)13-18-15(19)9-8-14-6-2-3-7-14/h14H,1-13H2,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide has a molecular weight of 285.86 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 103969470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).