N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine

C20H39N — CID 89044940

IUPACN-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine
SMILESCCCC(CCC)C(C/C=C\N=C(/C)CC)C(C)C(C)C
InChIInChI=1S/C20H39N/c1-8-12-19(13-9-2)20(18(7)16(4)5)14-11-15-21-17(6)10-3/h11,15-16,18-20H,8-10,12-14H2,1-7H3/b15-11-,21-17+
InChIKeyMWVWBOGPSFGXMF-LQQNQTIXSA-N
MW293.54 g/mol
LogP6.89
Rot. Bonds11

About N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine

N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine (PubChem CID 89044940) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine.

Molecular Properties

Compound NameN-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine
PubChem CID89044940
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine
SMILESCCCC(CCC)C(C/C=C\N=C(/C)CC)C(C)C(C)C
InChIInChI=1S/C20H39N/c1-8-12-19(13-9-2)20(18(7)16(4)5)14-11-15-21-17(6)10-3/h11,15-16,18-20H,8-10,12-14H2,1-7H3/b15-11-,21-17+
InChIKeyMWVWBOGPSFGXMF-LQQNQTIXSA-N
XLogP6.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine?
The IUPAC name of N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine (CID 89044940) is N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine.
What is the SMILES notation for N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine?
The canonical SMILES for N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine is CCCC(CCC)C(C/C=C\N=C(/C)CC)C(C)C(C)C.
What is the InChIKey of N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine?
The InChIKey is MWVWBOGPSFGXMF-LQQNQTIXSA-N. The full InChI is InChI=1S/C20H39N/c1-8-12-19(13-9-2)20(18(7)16(4)5)14-11-15-21-17(6)10-3/h11,15-16,18-20H,8-10,12-14H2,1-7H3/b15-11-,21-17+.
What are the key properties of N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine?
N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine has a molecular weight of 293.54 g/mol, XLogP of 6.89, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine is sourced from PubChem (CID 89044940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).