N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine

C25H42N2 — CID 67621916

IUPACN,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine
SMILESC=CCNC1CCC(CC2CCC(NCC=C)C(CC=C)C2)CC1CC=C
InChIInChI=1S/C25H42N2/c1-5-9-22-18-20(11-13-24(22)26-15-7-3)17-21-12-14-25(27-16-8-4)23(19-21)10-6-2/h5-8,20-27H,1-4,9-19H2
InChIKeyXOPLSPBHXQWRQZ-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.65
Rot. Bonds12

About N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine

N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 67621916) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID67621916
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC NameN,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine
SMILESC=CCNC1CCC(CC2CCC(NCC=C)C(CC=C)C2)CC1CC=C
InChIInChI=1S/C25H42N2/c1-5-9-22-18-20(11-13-24(22)26-15-7-3)17-21-12-14-25(27-16-8-4)23(19-21)10-6-2/h5-8,20-27H,1-4,9-19H2
InChIKeyXOPLSPBHXQWRQZ-UHFFFAOYSA-N
XLogP5.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.65
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 N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine (CID 67621916) is N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine is C=CCNC1CCC(CC2CCC(NCC=C)C(CC=C)C2)CC1CC=C.
What is the InChIKey of N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is XOPLSPBHXQWRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-5-9-22-18-20(11-13-24(22)26-15-7-3)17-21-12-14-25(27-16-8-4)23(19-21)10-6-2/h5-8,20-27H,1-4,9-19H2.
What are the key properties of N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine?
N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 370.63 g/mol, XLogP of 5.65, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(prop-2-enyl)-4-[[3-prop-2-enyl-4-(prop-2-enylamino)cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 67621916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).