1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine

C14H27NO — CID 103036047

IUPAC1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,16-3)10-9-13(15)11-12-7-5-4-6-8-12/h7,13H,4-6,8-11,15H2,1-3H3
InChIKeyCEUYFGFTVWCDTF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.41
Rot. Bonds6

About 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine

1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine (PubChem CID 103036047) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
PubChem CID103036047
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,16-3)10-9-13(15)11-12-7-5-4-6-8-12/h7,13H,4-6,8-11,15H2,1-3H3
InChIKeyCEUYFGFTVWCDTF-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
CID 150212700
4-(5-Methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine
CID 151719316
(3S)-4-methoxy-3-methylcyclohept-4-en-1-amine
CID 164099712
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
3-(3-Ethoxypropyl)cyclohex-2-en-1-amine
CID 65178069
3-(3-Ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65178070
[1-(Cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-yl]hydrazine
CID 103027064
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine (CID 103036047) is 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine?
The InChIKey is CEUYFGFTVWCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,16-3)10-9-13(15)11-12-7-5-4-6-8-12/h7,13H,4-6,8-11,15H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine?
1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103036047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).