N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine

C27H52N2 — CID 91412452

IUPACN-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine
SMILESC=C(C)C(/N=C(\C(C)C)C(CC1CCCCC1)NCC(C)C(C)CC)C(C)CC
InChIInChI=1S/C27H52N2/c1-10-21(7)23(9)18-28-25(17-24-15-13-12-14-16-24)27(20(5)6)29-26(19(3)4)22(8)11-2/h20-26,28H,3,10-18H2,1-2,4-9H3/b29-27+
InChIKeyMUEYZPVUBUFCAA-ORIPQNMZSA-N
MW404.73 g/mol
LogP7.68
Rot. Bonds13

About N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine

N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine (PubChem CID 91412452) has the molecular formula C27H52N2 and a molecular weight of 404.73 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine
PubChem CID91412452
Molecular FormulaC27H52N2
Molecular Weight404.73 g/mol
Exact Mass404.41
IUPAC NameN-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine
SMILESC=C(C)C(/N=C(\C(C)C)C(CC1CCCCC1)NCC(C)C(C)CC)C(C)CC
InChIInChI=1S/C27H52N2/c1-10-21(7)23(9)18-28-25(17-24-15-13-12-14-16-24)27(20(5)6)29-26(19(3)4)22(8)11-2/h20-26,28H,3,10-18H2,1-2,4-9H3/b29-27+
InChIKeyMUEYZPVUBUFCAA-ORIPQNMZSA-N
XLogP7.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.73
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine?
The IUPAC name of N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine (CID 91412452) is N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine is C=C(C)C(/N=C(\C(C)C)C(CC1CCCCC1)NCC(C)C(C)CC)C(C)CC.
What is the InChIKey of N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine?
The InChIKey is MUEYZPVUBUFCAA-ORIPQNMZSA-N. The full InChI is InChI=1S/C27H52N2/c1-10-21(7)23(9)18-28-25(17-24-15-13-12-14-16-24)27(20(5)6)29-26(19(3)4)22(8)11-2/h20-26,28H,3,10-18H2,1-2,4-9H3/b29-27+.
What are the key properties of N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine?
N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine has a molecular weight of 404.73 g/mol, XLogP of 7.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(2,4-dimethylhex-1-en-3-ylimino)-4-methylpentan-2-yl]-2,3-dimethylpentan-1-amine is sourced from PubChem (CID 91412452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).