N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine

C17H27N — CID 130222514

IUPACN-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine
SMILESC=CCCC(=C)/C(C)=C(/C)C(N=C(C)C)=C(C)C
InChIInChI=1S/C17H27N/c1-9-10-11-14(6)15(7)16(8)17(12(2)3)18-13(4)5/h9H,1,6,10-11H2,2-5,7-8H3/b16-15-
InChIKeyZQXRDNGNAATYFK-NXVVXOECSA-N
MW245.41 g/mol
LogP5.62
Rot. Bonds6

About N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine

N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine (PubChem CID 130222514) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine
PubChem CID130222514
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine
SMILESC=CCCC(=C)/C(C)=C(/C)C(N=C(C)C)=C(C)C
InChIInChI=1S/C17H27N/c1-9-10-11-14(6)15(7)16(8)17(12(2)3)18-13(4)5/h9H,1,6,10-11H2,2-5,7-8H3/b16-15-
InChIKeyZQXRDNGNAATYFK-NXVVXOECSA-N
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine?
The IUPAC name of N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine (CID 130222514) is N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine.
What is the SMILES notation for N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine?
The canonical SMILES for N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine is C=CCCC(=C)/C(C)=C(/C)C(N=C(C)C)=C(C)C.
What is the InChIKey of N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine?
The InChIKey is ZQXRDNGNAATYFK-NXVVXOECSA-N. The full InChI is InChI=1S/C17H27N/c1-9-10-11-14(6)15(7)16(8)17(12(2)3)18-13(4)5/h9H,1,6,10-11H2,2-5,7-8H3/b16-15-.
What are the key properties of N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine?
N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine has a molecular weight of 245.41 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine is sourced from PubChem (CID 130222514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).