2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine

C17H34N2 — CID 129272810

IUPAC2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine
SMILESC/C=C\N=C(/CCC)CN(CCC)C(C)(C)C(C)C
InChIInChI=1S/C17H34N2/c1-8-11-16(18-12-9-2)14-19(13-10-3)17(6,7)15(4)5/h9,12,15H,8,10-11,13-14H2,1-7H3/b12-9-,18-16+
InChIKeyLSXHGUZTLVSPGG-KJNTZPDISA-N
MW266.47 g/mol
LogP4.91
Rot. Bonds9

About 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine

2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine (PubChem CID 129272810) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine
PubChem CID129272810
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine
SMILESC/C=C\N=C(/CCC)CN(CCC)C(C)(C)C(C)C
InChIInChI=1S/C17H34N2/c1-8-11-16(18-12-9-2)14-19(13-10-3)17(6,7)15(4)5/h9,12,15H,8,10-11,13-14H2,1-7H3/b12-9-,18-16+
InChIKeyLSXHGUZTLVSPGG-KJNTZPDISA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine?
The IUPAC name of 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine (CID 129272810) is 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine is C/C=C\N=C(/CCC)CN(CCC)C(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine?
The InChIKey is LSXHGUZTLVSPGG-KJNTZPDISA-N. The full InChI is InChI=1S/C17H34N2/c1-8-11-16(18-12-9-2)14-19(13-10-3)17(6,7)15(4)5/h9,12,15H,8,10-11,13-14H2,1-7H3/b12-9-,18-16+.
What are the key properties of 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine?
2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-[(Z)-prop-1-enyl]iminopentyl]-N-propylbutan-2-amine is sourced from PubChem (CID 129272810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).