2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine

C14H23NO — CID 142856991

IUPAC2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine
SMILESC=C(/C=C1/CCO/C1=C/C)C(N)C(C)(C)C
InChIInChI=1S/C14H23NO/c1-6-12-11(7-8-16-12)9-10(2)13(15)14(3,4)5/h6,9,13H,2,7-8,15H2,1,3-5H3/b11-9-,12-6+
InChIKeyNQBWMSYAJCATIB-AFUQHQPYSA-N
MW221.34 g/mol
LogP3.17
Rot. Bonds2

About 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine

2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine (PubChem CID 142856991) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine
PubChem CID142856991
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine
SMILESC=C(/C=C1/CCO/C1=C/C)C(N)C(C)(C)C
InChIInChI=1S/C14H23NO/c1-6-12-11(7-8-16-12)9-10(2)13(15)14(3,4)5/h6,9,13H,2,7-8,15H2,1,3-5H3/b11-9-,12-6+
InChIKeyNQBWMSYAJCATIB-AFUQHQPYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine?
The IUPAC name of 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine (CID 142856991) is 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine?
The canonical SMILES for 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine is C=C(/C=C1/CCO/C1=C/C)C(N)C(C)(C)C.
What is the InChIKey of 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine?
The InChIKey is NQBWMSYAJCATIB-AFUQHQPYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-12-11(7-8-16-12)9-10(2)13(15)14(3,4)5/h6,9,13H,2,7-8,15H2,1,3-5H3/b11-9-,12-6+.
What are the key properties of 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine?
2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 142856991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).