(E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine

C11H21NO — CID 103914856

IUPAC(E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine
SMILESC/C=C/CNC(C)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-4-7-12-10(2)11-5-8-13-9-6-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyVVNZGUXNRKTMIF-ONEGZZNKSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds4

About (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine

(E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine (PubChem CID 103914856) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine
PubChem CID103914856
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine
SMILESC/C=C/CNC(C)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-4-7-12-10(2)11-5-8-13-9-6-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyVVNZGUXNRKTMIF-ONEGZZNKSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 164047064
N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 64313531
4-methyl-N-prop-2-enyloxan-4-amine
CID 116231351
2,3-dimethyl-N-(oxan-4-ylmethyl)but-2-en-1-amine
CID 123957993
(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine
CID 139297014
N-(oxan-4-ylmethyl)prop-1-en-2-amine
CID 143932457
2,2-dimethyl-N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 169557764
4-ethyl-6-methoxy-N-methylhex-1-en-3-amine
CID 170267662
6-methoxy-N,4-dimethylhex-1-en-3-amine
CID 170268003
(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine
CID 175626549
(3Z)-N-(oxan-4-ylmethyl)penta-1,3-dien-2-amine
CID 176955790

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine (CID 103914856) is (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine is C/C=C/CNC(C)C1CCOCC1.
What is the InChIKey of (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine?
The InChIKey is VVNZGUXNRKTMIF-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-7-12-10(2)11-5-8-13-9-6-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine?
(E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(oxan-4-yl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 103914856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).