[3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine

C12H22N2 — CID 19009127

IUPAC[3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine
SMILESC=CC1C(CN)CCCC1(C=C)CN
InChIInChI=1S/C12H22N2/c1-3-11-10(8-13)6-5-7-12(11,4-2)9-14/h3-4,10-11H,1-2,5-9,13-14H2
InChIKeyCBMXESLIVKKKCP-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.68
Rot. Bonds4

About [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine

[3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine (PubChem CID 19009127) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine
PubChem CID19009127
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine
SMILESC=CC1C(CN)CCCC1(C=C)CN
InChIInChI=1S/C12H22N2/c1-3-11-10(8-13)6-5-7-12(11,4-2)9-14/h3-4,10-11H,1-2,5-9,13-14H2
InChIKeyCBMXESLIVKKKCP-UHFFFAOYSA-N
XLogP1.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10920716
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CID 11607981
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CID 52920940
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CID 172021597
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CID 10149177
CID 10149177
CID 10214480
CID 10214480
CID 20723357
CID 20723357
CID 22630131
CID 22630131
CID 22630148
CID 22630148
CID 57018198
CID 57018198
CID 58661882
CID 58661882
CID 66694648
CID 66694648

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine?
The IUPAC name of [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine (CID 19009127) is [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine is C=CC1C(CN)CCCC1(C=C)CN.
What is the InChIKey of [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine?
The InChIKey is CBMXESLIVKKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-11-10(8-13)6-5-7-12(11,4-2)9-14/h3-4,10-11H,1-2,5-9,13-14H2.
What are the key properties of [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine?
[3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2,3-bis(ethenyl)cyclohexyl]methanamine is sourced from PubChem (CID 19009127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).