N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine

C11H19NO — CID 145199894

IUPACN-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine
SMILESC=C(/C=C\CC)NC1CCCCO1
InChIInChI=1S/C11H19NO/c1-3-4-7-10(2)12-11-8-5-6-9-13-11/h4,7,11-12H,2-3,5-6,8-9H2,1H3/b7-4-
InChIKeyMVXBSCGTPHYPSU-DAXSKMNVSA-N
MW181.28 g/mol
LogP2.58
Rot. Bonds4

About N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine

N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine (PubChem CID 145199894) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine
PubChem CID145199894
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine
SMILESC=C(/C=C\CC)NC1CCCCO1
InChIInChI=1S/C11H19NO/c1-3-4-7-10(2)12-11-8-5-6-9-13-11/h4,7,11-12H,2-3,5-6,8-9H2,1H3/b7-4-
InChIKeyMVXBSCGTPHYPSU-DAXSKMNVSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-N-(5-methoxypentyl)-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 70974521
N-buta-1,3-dien-2-yloxan-2-amine
CID 137483409
ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine
CID 145199678
ethane;(3Z)-5-methyl-N-(oxan-3-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153334023
1-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-1-(oxan-2-yl)hydrazine
CID 155203133
N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine
CID 155244660
(3E)-N-(5-methoxypentyl)-3-prop-1-en-2-ylpenta-1,3-dien-2-amine
CID 156050771
N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine
CID 166774370
1-[(3Z)-hexa-1,3-dien-2-yl]-1-(oxan-2-yl)-2-[(2Z)-penta-2,4-dienyl]hydrazine
CID 166982209
(Z)-4-N-methyl-2-N-(oxan-2-yl)hex-2-en-5-yne-2,4-diamine
CID 172336463
N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine
CID 178007231
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine
CID 145199679

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine?
The IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine (CID 145199894) is N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine.
What is the SMILES notation for N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine?
The canonical SMILES for N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine is C=C(/C=C\CC)NC1CCCCO1.
What is the InChIKey of N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine?
The InChIKey is MVXBSCGTPHYPSU-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-7-10(2)12-11-8-5-6-9-13-11/h4,7,11-12H,2-3,5-6,8-9H2,1H3/b7-4-.
What are the key properties of N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine?
N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine is sourced from PubChem (CID 145199894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).