4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine

C12H25NO — CID 81014415

IUPAC4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
SMILESCCCOCC1CC(C)(C)CCC1N
InChIInChI=1S/C12H25NO/c1-4-7-14-9-10-8-12(2,3)6-5-11(10)13/h10-11H,4-9,13H2,1-3H3
InChIKeyVCAAFKNHOCDNIZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds4

About 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine

4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine (PubChem CID 81014415) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
PubChem CID81014415
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
SMILESCCCOCC1CC(C)(C)CCC1N
InChIInChI=1S/C12H25NO/c1-4-7-14-9-10-8-12(2,3)6-5-11(10)13/h10-11H,4-9,13H2,1-3H3
InChIKeyVCAAFKNHOCDNIZ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine
CID 82942066
2-hexyl-4,4-dimethylcyclohexan-1-amine
CID 81013830
trimethyl-[2-[(2,5,5-trimethylcyclohexyl)methoxy]ethyl]silane
CID 58770250
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
3,4-diethyl-6,6-dimethylcyclooctan-1-amine
CID 166972980
N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81030365
2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine
CID 103177313
cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
CID 141264865
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014857
2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 65281770

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine (CID 81014415) is 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine is CCCOCC1CC(C)(C)CCC1N.
What is the InChIKey of 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine?
The InChIKey is VCAAFKNHOCDNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-14-9-10-8-12(2,3)6-5-11(10)13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine?
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 81014415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).