(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine

C11H19NO — CID 115742078

IUPAC(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC1=CCCOC1
InChIInChI=1S/C11H19NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h2-3,6,12H,4-5,7-10H2,1H3/b3-2+
InChIKeyYJUFUQDQAUIJOZ-NSCUHMNNSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds5

About (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine

(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine (PubChem CID 115742078) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine
PubChem CID115742078
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC1=CCCOC1
InChIInChI=1S/C11H19NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h2-3,6,12H,4-5,7-10H2,1H3/b3-2+
InChIKeyYJUFUQDQAUIJOZ-NSCUHMNNSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
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-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
(Z,2E)-2-(2-methoxyethylidene)-N-methylhex-3-en-1-amine
CID 132044562
2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine
CID 139609183
ethane;(Z,2E)-N-(3-ethoxypropyl)-2-ethylidenepent-3-en-1-amine
CID 141975366
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine (CID 115742078) is (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine is C/C=C/CCNCC1=CCCOC1.
What is the InChIKey of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine?
The InChIKey is YJUFUQDQAUIJOZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-7-12-9-11-6-5-8-13-10-11/h2-3,6,12H,4-5,7-10H2,1H3/b3-2+.
What are the key properties of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine?
(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 115742078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).