(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine

C23H44N2 — CID 70254094

IUPAC(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine
SMILESCCCC/C(=C\N)CNC(C)C1CC(C)CC(C2CCC(C)CC2)C1
InChIInChI=1S/C23H44N2/c1-5-6-7-20(15-24)16-25-19(4)22-12-18(3)13-23(14-22)21-10-8-17(2)9-11-21/h15,17-19,21-23,25H,5-14,16,24H2,1-4H3/b20-15+
InChIKeyBNPJHLRZSFBZAJ-HMMYKYKNSA-N
MW348.62 g/mol
LogP5.88
Rot. Bonds8

About (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine

(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine (PubChem CID 70254094) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine
PubChem CID70254094
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine
SMILESCCCC/C(=C\N)CNC(C)C1CC(C)CC(C2CCC(C)CC2)C1
InChIInChI=1S/C23H44N2/c1-5-6-7-20(15-24)16-25-19(4)22-12-18(3)13-23(14-22)21-10-8-17(2)9-11-21/h15,17-19,21-23,25H,5-14,16,24H2,1-4H3/b20-15+
InChIKeyBNPJHLRZSFBZAJ-HMMYKYKNSA-N
XLogP5.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine (CID 70254094) is (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine is CCCC/C(=C\N)CNC(C)C1CC(C)CC(C2CCC(C)CC2)C1.
What is the InChIKey of (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine?
The InChIKey is BNPJHLRZSFBZAJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H44N2/c1-5-6-7-20(15-24)16-25-19(4)22-12-18(3)13-23(14-22)21-10-8-17(2)9-11-21/h15,17-19,21-23,25H,5-14,16,24H2,1-4H3/b20-15+.
What are the key properties of (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine?
(E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine has a molecular weight of 348.62 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-butyl-N'-[1-[3-methyl-5-(4-methylcyclohexyl)cyclohexyl]ethyl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 70254094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).