N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

C16H33ClN2O2 — CID 119660903

IUPACN-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOCCC1(C(=O)N(C)CCC(N)C(C)C)CCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-13(2)14(17)7-11-18(3)15(19)16(10-12-20-4)8-5-6-9-16;/h13-14H,5-12,17H2,1-4H3;1H
InChIKeySMKBLGZIAVFLCS-UHFFFAOYSA-N
MW320.91 g/mol
LogP2.84
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119660903) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119660903
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC NameN-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOCCC1(C(=O)N(C)CCC(N)C(C)C)CCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-13(2)14(17)7-11-18(3)15(19)16(10-12-20-4)8-5-6-9-16;/h13-14H,5-12,17H2,1-4H3;1H
InChIKeySMKBLGZIAVFLCS-UHFFFAOYSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119346158
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N-(3-amino-4-methylpentyl)-1-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119658109
N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
CID 119659923
N-(3-aminobutyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119498511
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119659795
N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
CID 103021642
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 119660903) is N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is COCCC1(C(=O)N(C)CCC(N)C(C)C)CCCC1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is SMKBLGZIAVFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.ClH/c1-13(2)14(17)7-11-18(3)15(19)16(10-12-20-4)8-5-6-9-16;/h13-14H,5-12,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119660903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).