N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine

C14H25NO — CID 134242988

IUPACN-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
SMILESC=C(C)/C=C\C(=C/C)OC(CC)CCNC
InChIInChI=1S/C14H25NO/c1-6-13(9-8-12(3)4)16-14(7-2)10-11-15-5/h6,8-9,14-15H,3,7,10-11H2,1-2,4-5H3/b9-8-,13-6+
InChIKeyFULOFYOPHVUHFS-GFBXJKNCSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds8

About N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine

N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine (PubChem CID 134242988) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
PubChem CID134242988
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
SMILESC=C(C)/C=C\C(=C/C)OC(CC)CCNC
InChIInChI=1S/C14H25NO/c1-6-13(9-8-12(3)4)16-14(7-2)10-11-15-5/h6,8-9,14-15H,3,7,10-11H2,1-2,4-5H3/b9-8-,13-6+
InChIKeyFULOFYOPHVUHFS-GFBXJKNCSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine?
The IUPAC name of N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine (CID 134242988) is N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine.
What is the SMILES notation for N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine?
The canonical SMILES for N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine is C=C(C)/C=C\C(=C/C)OC(CC)CCNC.
What is the InChIKey of N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine?
The InChIKey is FULOFYOPHVUHFS-GFBXJKNCSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-13(9-8-12(3)4)16-14(7-2)10-11-15-5/h6,8-9,14-15H,3,7,10-11H2,1-2,4-5H3/b9-8-,13-6+.
What are the key properties of N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine?
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine is sourced from PubChem (CID 134242988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).