N-methyl-3-propoxycyclohexan-1-amine

C10H21NO — CID 79618240

IUPACN-methyl-3-propoxycyclohexan-1-amine
SMILESCCCOC1CCCC(NC)C1
InChIInChI=1S/C10H21NO/c1-3-7-12-10-6-4-5-9(8-10)11-2/h9-11H,3-8H2,1-2H3
InChIKeyBXFGUYNCCWQGKV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-3-propoxycyclohexan-1-amine

N-methyl-3-propoxycyclohexan-1-amine (PubChem CID 79618240) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-3-propoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-propoxycyclohexan-1-amine
PubChem CID79618240
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-3-propoxycyclohexan-1-amine
SMILESCCCOC1CCCC(NC)C1
InChIInChI=1S/C10H21NO/c1-3-7-12-10-6-4-5-9(8-10)11-2/h9-11H,3-8H2,1-2H3
InChIKeyBXFGUYNCCWQGKV-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
CID 79618342
N-methyl-3-(2-methylpropoxy)cyclohexan-1-amine
CID 79618009
3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
CID 79642433
3-ethoxy-N-methylcyclopentan-1-amine
CID 79642997
propoxycyclooctane
CID 54078990
3-ethoxy-N-ethylcyclohexan-1-amine
CID 79619303
3-(1-methoxypropan-2-yloxy)-N-methylcyclohexan-1-amine
CID 79618809
3-heptoxy-N-methylcyclobutan-1-amine
CID 66356812
5-propoxycyclooctene
CID 77387390
N-cyclohexyl-4-propoxycyclohexan-1-amine;hydrochloride
CID 165430954
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902
butoxycyclobutane
CID 54057236

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propoxycyclohexan-1-amine?
The IUPAC name of N-methyl-3-propoxycyclohexan-1-amine (CID 79618240) is N-methyl-3-propoxycyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-propoxycyclohexan-1-amine?
The canonical SMILES for N-methyl-3-propoxycyclohexan-1-amine is CCCOC1CCCC(NC)C1.
What is the InChIKey of N-methyl-3-propoxycyclohexan-1-amine?
The InChIKey is BXFGUYNCCWQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-7-12-10-6-4-5-9(8-10)11-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-propoxycyclohexan-1-amine?
N-methyl-3-propoxycyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propoxycyclohexan-1-amine is sourced from PubChem (CID 79618240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).