2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine

C19H38N2 — CID 166906814

IUPAC2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine
SMILESCCC(C)/C=C\CC(C)/N=C/C(C)C(C)CC(CC)CN
InChIInChI=1S/C19H38N2/c1-7-15(3)10-9-11-18(6)21-14-17(5)16(4)12-19(8-2)13-20/h9-10,14-19H,7-8,11-13,20H2,1-6H3/b10-9-,21-14+
InChIKeyYUZJORJUDZSGMR-NWGLWDCXSA-N
MW294.53 g/mol
LogP5.09
Rot. Bonds11

About 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine

2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine (PubChem CID 166906814) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine
PubChem CID166906814
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine
SMILESCCC(C)/C=C\CC(C)/N=C/C(C)C(C)CC(CC)CN
InChIInChI=1S/C19H38N2/c1-7-15(3)10-9-11-18(6)21-14-17(5)16(4)12-19(8-2)13-20/h9-10,14-19H,7-8,11-13,20H2,1-6H3/b10-9-,21-14+
InChIKeyYUZJORJUDZSGMR-NWGLWDCXSA-N
XLogP5.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.09
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 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine?
The IUPAC name of 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine (CID 166906814) is 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine?
The canonical SMILES for 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine is CCC(C)/C=C\CC(C)/N=C/C(C)C(C)CC(CC)CN.
What is the InChIKey of 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine?
The InChIKey is YUZJORJUDZSGMR-NWGLWDCXSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-15(3)10-9-11-18(6)21-14-17(5)16(4)12-19(8-2)13-20/h9-10,14-19H,7-8,11-13,20H2,1-6H3/b10-9-,21-14+.
What are the key properties of 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine?
2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine is sourced from PubChem (CID 166906814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).