N-chloro-1-(4-methylcyclohexyl)methanamine;methane

C9H20ClN — CID 158318489

IUPACN-chloro-1-(4-methylcyclohexyl)methanamine;methane
SMILESC.CC1CCC(CNCl)CC1
InChIInChI=1S/C8H16ClN.CH4/c1-7-2-4-8(5-3-7)6-10-9;/h7-8,10H,2-6H2,1H3;1H4
InChIKeyGOOAKSCEFSLYOI-UHFFFAOYSA-N
MW177.72 g/mol
LogP3.19
Rot. Bonds2

About N-chloro-1-(4-methylcyclohexyl)methanamine;methane

N-chloro-1-(4-methylcyclohexyl)methanamine;methane (PubChem CID 158318489) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-chloro-1-(4-methylcyclohexyl)methanamine;methane.

Molecular Properties

Compound NameN-chloro-1-(4-methylcyclohexyl)methanamine;methane
PubChem CID158318489
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-chloro-1-(4-methylcyclohexyl)methanamine;methane
SMILESC.CC1CCC(CNCl)CC1
InChIInChI=1S/C8H16ClN.CH4/c1-7-2-4-8(5-3-7)6-10-9;/h7-8,10H,2-6H2,1H3;1H4
InChIKeyGOOAKSCEFSLYOI-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(4-methylcyclohexyl)methanamine;methane?
The IUPAC name of N-chloro-1-(4-methylcyclohexyl)methanamine;methane (CID 158318489) is N-chloro-1-(4-methylcyclohexyl)methanamine;methane.
What is the SMILES notation for N-chloro-1-(4-methylcyclohexyl)methanamine;methane?
The canonical SMILES for N-chloro-1-(4-methylcyclohexyl)methanamine;methane is C.CC1CCC(CNCl)CC1.
What is the InChIKey of N-chloro-1-(4-methylcyclohexyl)methanamine;methane?
The InChIKey is GOOAKSCEFSLYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN.CH4/c1-7-2-4-8(5-3-7)6-10-9;/h7-8,10H,2-6H2,1H3;1H4.
What are the key properties of N-chloro-1-(4-methylcyclohexyl)methanamine;methane?
N-chloro-1-(4-methylcyclohexyl)methanamine;methane has a molecular weight of 177.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(4-methylcyclohexyl)methanamine;methane is sourced from PubChem (CID 158318489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).