1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride

C19H39ClN2O2 — CID 159743078

IUPAC1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride
SMILESCC1(NC=O)CCCC1.CC1(O)CCCC1.CC1([NH3+])CCCC1.[Cl-]
InChIInChI=1S/C7H13NO.C6H13N.C6H12O.ClH/c1-7(8-6-9)4-2-3-5-7;2*1-6(7)4-2-3-5-6;/h6H,2-5H2,1H3,(H,8,9);2-5,7H2,1H3;7H,2-5H2,1H3;1H
InChIKeyCHZONBNFLHNHAZ-UHFFFAOYSA-N
MW362.99 g/mol
LogP-0.06
Rot. Bonds2

About 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride

1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride (PubChem CID 159743078) has the molecular formula C19H39ClN2O2 and a molecular weight of 362.99 g/mol. Its IUPAC name is 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride.

Molecular Properties

Compound Name1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride
PubChem CID159743078
Molecular FormulaC19H39ClN2O2
Molecular Weight362.99 g/mol
Exact Mass362.27
IUPAC Name1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride
SMILESCC1(NC=O)CCCC1.CC1(O)CCCC1.CC1([NH3+])CCCC1.[Cl-]
InChIInChI=1S/C7H13NO.C6H13N.C6H12O.ClH/c1-7(8-6-9)4-2-3-5-7;2*1-6(7)4-2-3-5-6;/h6H,2-5H2,1H3,(H,8,9);2-5,7H2,1H3;7H,2-5H2,1H3;1H
InChIKeyCHZONBNFLHNHAZ-UHFFFAOYSA-N
XLogP-0.06
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.99
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylcyclobutyl)formamide
CID 54210121
formic acid;1-methylcyclohexan-1-ol
CID 163667859
lithium 1-methylcyclopentan-1-ol
CID 18764027
cerium;1-methylcyclohexan-1-ol
CID 146687678
acetylene;1-methylcyclohexan-1-ol
CID 142432034
dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
CID 19770518
N-(1,3,3-trimethylcyclobutyl)formamide
CID 170194566
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
1-methyl-1-(sulfinoamino)cyclobutane
CID 156557765
N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide
CID 71350145
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
1-formamidocyclohexane-1-carboxylic acid
CID 61147418

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride?
The IUPAC name of 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride (CID 159743078) is 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride.
What is the SMILES notation for 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride?
The canonical SMILES for 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride is CC1(NC=O)CCCC1.CC1(O)CCCC1.CC1([NH3+])CCCC1.[Cl-].
What is the InChIKey of 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride?
The InChIKey is CHZONBNFLHNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H13N.C6H12O.ClH/c1-7(8-6-9)4-2-3-5-7;2*1-6(7)4-2-3-5-6;/h6H,2-5H2,1H3,(H,8,9);2-5,7H2,1H3;7H,2-5H2,1H3;1H.
What are the key properties of 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride?
1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride has a molecular weight of 362.99 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride is sourced from PubChem (CID 159743078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).