3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine

C16H28N2 — CID 67670153

IUPAC3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1(CN)CC(N)CC(CC=C)(CC=C)C1
InChIInChI=1S/C16H28N2/c1-4-7-15(8-5-2)10-14(18)11-16(12-15,13-17)9-6-3/h4-6,14H,1-3,7-13,17-18H2
InChIKeyIHMCYDKAFVSZEV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.16
Rot. Bonds7

About 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine

3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine (PubChem CID 67670153) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine
PubChem CID67670153
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1(CN)CC(N)CC(CC=C)(CC=C)C1
InChIInChI=1S/C16H28N2/c1-4-7-15(8-5-2)10-14(18)11-16(12-15,13-17)9-6-3/h4-6,14H,1-3,7-13,17-18H2
InChIKeyIHMCYDKAFVSZEV-UHFFFAOYSA-N
XLogP3.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.16
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
CID 10920716
CID 11607981
CID 11607981
CID 52920940
CID 52920940
CID 134994238
CID 134994238
CID 10149177
CID 10149177
CID 10214480
CID 10214480
CID 19009127
CID 19009127
CID 20692166
CID 20692166
CID 20692202
CID 20692202
CID 58661882
CID 58661882
CID 67301569
CID 67301569
CID 67828649
CID 67828649

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine (CID 67670153) is 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine is C=CCC1(CN)CC(N)CC(CC=C)(CC=C)C1.
What is the InChIKey of 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is IHMCYDKAFVSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-7-15(8-5-2)10-14(18)11-16(12-15,13-17)9-6-3/h4-6,14H,1-3,7-13,17-18H2.
What are the key properties of 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine?
3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3,5,5-tris(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 67670153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).