N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine

C13H25NO — CID 177319659

IUPACN,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
SMILESCC/C=C(/C)OC(CCCNC)=C(C)C
InChIInChI=1S/C13H25NO/c1-6-8-12(4)15-13(11(2)3)9-7-10-14-5/h8,14H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyYNLXYXQHFBSORN-WQLSENKSSA-N
MW211.35 g/mol
LogP3.61
Rot. Bonds7

About N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine

N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine (PubChem CID 177319659) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
PubChem CID177319659
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
SMILESCC/C=C(/C)OC(CCCNC)=C(C)C
InChIInChI=1S/C13H25NO/c1-6-8-12(4)15-13(11(2)3)9-7-10-14-5/h8,14H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyYNLXYXQHFBSORN-WQLSENKSSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine?
The IUPAC name of N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine (CID 177319659) is N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine.
What is the SMILES notation for N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine?
The canonical SMILES for N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine is CC/C=C(/C)OC(CCCNC)=C(C)C.
What is the InChIKey of N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine?
The InChIKey is YNLXYXQHFBSORN-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-8-12(4)15-13(11(2)3)9-7-10-14-5/h8,14H,6-7,9-10H2,1-5H3/b12-8-.
What are the key properties of N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine?
N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine is sourced from PubChem (CID 177319659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).