N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine

C10H16ClNO — CID 178007231

IUPACN-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine
SMILESC=C(/C=C(\C)Cl)NC1CCCCO1
InChIInChI=1S/C10H16ClNO/c1-8(11)7-9(2)12-10-5-3-4-6-13-10/h7,10,12H,2-6H2,1H3/b8-7+
InChIKeyNFYNOTYBQUXTBR-BQYQJAHWSA-N
MW201.70 g/mol
LogP2.76
Rot. Bonds3

About N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine

N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine (PubChem CID 178007231) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine.

Molecular Properties

Compound NameN-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine
PubChem CID178007231
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine
SMILESC=C(/C=C(\C)Cl)NC1CCCCO1
InChIInChI=1S/C10H16ClNO/c1-8(11)7-9(2)12-10-5-3-4-6-13-10/h7,10,12H,2-6H2,1H3/b8-7+
InChIKeyNFYNOTYBQUXTBR-BQYQJAHWSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.76
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

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
N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine
CID 145199894
N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine
CID 166774370
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine
CID 145199679

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine?
The IUPAC name of N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine (CID 178007231) is N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine.
What is the SMILES notation for N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine?
The canonical SMILES for N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine is C=C(/C=C(\C)Cl)NC1CCCCO1.
What is the InChIKey of N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine?
The InChIKey is NFYNOTYBQUXTBR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-8(11)7-9(2)12-10-5-3-4-6-13-10/h7,10,12H,2-6H2,1H3/b8-7+.
What are the key properties of N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine?
N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine has a molecular weight of 201.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine is sourced from PubChem (CID 178007231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).