4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine

C19H34N2 — CID 67882138

IUPAC4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(CC2(CC=C)CCC(N)CC2)CCC(N)CC1
InChIInChI=1S/C19H34N2/c1-3-9-18(11-5-16(20)6-12-18)15-19(10-4-2)13-7-17(21)8-14-19/h3-4,16-17H,1-2,5-15,20-21H2
InChIKeyIOIUJVDZWJYBCP-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.30
Rot. Bonds6

About 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine

4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine (PubChem CID 67882138) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine
PubChem CID67882138
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(CC2(CC=C)CCC(N)CC2)CCC(N)CC1
InChIInChI=1S/C19H34N2/c1-3-9-18(11-5-16(20)6-12-18)15-19(10-4-2)13-7-17(21)8-14-19/h3-4,16-17H,1-2,5-15,20-21H2
InChIKeyIOIUJVDZWJYBCP-UHFFFAOYSA-N
XLogP4.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine (CID 67882138) is 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine is C=CCC1(CC2(CC=C)CCC(N)CC2)CCC(N)CC1.
What is the InChIKey of 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine?
The InChIKey is IOIUJVDZWJYBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-9-18(11-5-16(20)6-12-18)15-19(10-4-2)13-7-17(21)8-14-19/h3-4,16-17H,1-2,5-15,20-21H2.
What are the key properties of 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine?
4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 67882138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).