[2-(hept-6-enoxymethyl)cyclohexyl]methanamine

C15H29NO — CID 107007728

IUPAC[2-(hept-6-enoxymethyl)cyclohexyl]methanamine
SMILESC=CCCCCCOCC1CCCCC1CN
InChIInChI=1S/C15H29NO/c1-2-3-4-5-8-11-17-13-15-10-7-6-9-14(15)12-16/h2,14-15H,1,3-13,16H2
InChIKeyXPZHQNPBKDVRFC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.51
Rot. Bonds9

About [2-(hept-6-enoxymethyl)cyclohexyl]methanamine

[2-(hept-6-enoxymethyl)cyclohexyl]methanamine (PubChem CID 107007728) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [2-(hept-6-enoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(hept-6-enoxymethyl)cyclohexyl]methanamine
PubChem CID107007728
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[2-(hept-6-enoxymethyl)cyclohexyl]methanamine
SMILESC=CCCCCCOCC1CCCCC1CN
InChIInChI=1S/C15H29NO/c1-2-3-4-5-8-11-17-13-15-10-7-6-9-14(15)12-16/h2,14-15H,1,3-13,16H2
InChIKeyXPZHQNPBKDVRFC-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-hept-6-enylcyclohexyl)methanamine
CID 107010667
(2-pent-4-enylcyclohexyl)methanamine
CID 81010677
oct-7-enoxymethylcyclohexane
CID 53248071
[2-(3-fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
12-dodec-11-enoxydodec-1-ene
CID 87325659
2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
CID 106938444
4-(hept-6-enoxymethyl)piperidine
CID 107007705
[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
CID 82928660
[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
CID 82892394
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
CID 142736704

Frequently Asked Questions

What is the IUPAC name of [2-(hept-6-enoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [2-(hept-6-enoxymethyl)cyclohexyl]methanamine (CID 107007728) is [2-(hept-6-enoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(hept-6-enoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(hept-6-enoxymethyl)cyclohexyl]methanamine is C=CCCCCCOCC1CCCCC1CN.
What is the InChIKey of [2-(hept-6-enoxymethyl)cyclohexyl]methanamine?
The InChIKey is XPZHQNPBKDVRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-4-5-8-11-17-13-15-10-7-6-9-14(15)12-16/h2,14-15H,1,3-13,16H2.
What are the key properties of [2-(hept-6-enoxymethyl)cyclohexyl]methanamine?
[2-(hept-6-enoxymethyl)cyclohexyl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hept-6-enoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 107007728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).