4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine

C20H42N2 — CID 89131267

IUPAC4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine
SMILESCCC(C)C/C=C\CNC(C)(C)CCCNC(C)(CC)CC
InChIInChI=1S/C20H42N2/c1-8-18(4)14-11-12-16-21-19(5,6)15-13-17-22-20(7,9-2)10-3/h11-12,18,21-22H,8-10,13-17H2,1-7H3/b12-11-
InChIKeyLUMPLEDYBZTLNW-QXMHVHEDSA-N
MW310.57 g/mol
LogP5.30
Rot. Bonds13

About 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine

4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine (PubChem CID 89131267) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine
PubChem CID89131267
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine
SMILESCCC(C)C/C=C\CNC(C)(C)CCCNC(C)(CC)CC
InChIInChI=1S/C20H42N2/c1-8-18(4)14-11-12-16-21-19(5,6)15-13-17-22-20(7,9-2)10-3/h11-12,18,21-22H,8-10,13-17H2,1-7H3/b12-11-
InChIKeyLUMPLEDYBZTLNW-QXMHVHEDSA-N
XLogP5.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine?
The IUPAC name of 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine (CID 89131267) is 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine?
The canonical SMILES for 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine is CCC(C)C/C=C\CNC(C)(C)CCCNC(C)(CC)CC.
What is the InChIKey of 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine?
The InChIKey is LUMPLEDYBZTLNW-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H42N2/c1-8-18(4)14-11-12-16-21-19(5,6)15-13-17-22-20(7,9-2)10-3/h11-12,18,21-22H,8-10,13-17H2,1-7H3/b12-11-.
What are the key properties of 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine?
4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.30, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine is sourced from PubChem (CID 89131267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).