(E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine

C11H21NO — CID 115907437

IUPAC(E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC1CCCOC1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h2-3,11-12H,4-10H2,1H3/b3-2+
InChIKeyAARUBKDMZCODJV-NSCUHMNNSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine

(E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine (PubChem CID 115907437) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine
PubChem CID115907437
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC1CCCOC1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h2-3,11-12H,4-10H2,1H3/b3-2+
InChIKeyAARUBKDMZCODJV-NSCUHMNNSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-3-ylmethyl)but-3-en-1-amine
CID 64314422
3-(1-Ethoxyethenyl)piperidine
CID 89033604
3-(Cyclohexa-1,3-dien-1-yloxymethyl)piperidine
CID 146685265
ethane;(3Z)-5-methyl-N-(oxan-3-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153334023
(3S,4E)-4-ethylidene-3-methyl-3-(propan-2-yloxymethyl)piperidine
CID 177009299
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674377
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674381
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
CID 43180696
[(Cyclohex-3-en-1-yl)methyl](3-methoxypropyl)amine
CID 43182321
N-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 43182584
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
3-[(4-Pentenyloxy)methyl]piperidine hydrochloride
CID 53409456

Frequently Asked Questions

What is the IUPAC name of (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine (CID 115907437) is (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine is C/C=C/CCNCC1CCCOC1.
What is the InChIKey of (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine?
The InChIKey is AARUBKDMZCODJV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h2-3,11-12H,4-10H2,1H3/b3-2+.
What are the key properties of (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine?
(E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(oxan-3-ylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 115907437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).