N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine

C12H23NO — CID 143885016

IUPACN-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine
SMILESC=C/C=C(/C)OCC(CC)CCNC
InChIInChI=1S/C12H23NO/c1-5-7-11(3)14-10-12(6-2)8-9-13-4/h5,7,12-13H,1,6,8-10H2,2-4H3/b11-7-
InChIKeyGQHCRUDYSOGFHN-XFFZJAGNSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds8

About N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine

N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine (PubChem CID 143885016) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine
PubChem CID143885016
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine
SMILESC=C/C=C(/C)OCC(CC)CCNC
InChIInChI=1S/C12H23NO/c1-5-7-11(3)14-10-12(6-2)8-9-13-4/h5,7,12-13H,1,6,8-10H2,2-4H3/b11-7-
InChIKeyGQHCRUDYSOGFHN-XFFZJAGNSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
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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Related Compounds

4-[[(2E)-4-fluoropenta-2,4-dien-2-yl]oxymethyl]piperidine
CID 156207100
4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
CID 59943682
4-(3-Hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614
4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine
CID 143248170

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine?
The IUPAC name of N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine (CID 143885016) is N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine.
What is the SMILES notation for N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine?
The canonical SMILES for N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine is C=C/C=C(/C)OCC(CC)CCNC.
What is the InChIKey of N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine?
The InChIKey is GQHCRUDYSOGFHN-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-7-11(3)14-10-12(6-2)8-9-13-4/h5,7,12-13H,1,6,8-10H2,2-4H3/b11-7-.
What are the key properties of N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine?
N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2Z)-penta-2,4-dien-2-yl]oxymethyl]pentan-1-amine is sourced from PubChem (CID 143885016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).