[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine

C15H27NO — CID 129015888

IUPAC[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine
SMILESCCCC/C(C)=C1/CCOC(CN)C1=C(C)C
InChIInChI=1S/C15H27NO/c1-5-6-7-12(4)13-8-9-17-14(10-16)15(13)11(2)3/h14H,5-10,16H2,1-4H3/b13-12-
InChIKeyVCLLWUQEEMLSJI-SEYXRHQNSA-N
MW237.39 g/mol
LogP3.58
Rot. Bonds4

About [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine

[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine (PubChem CID 129015888) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine.

Molecular Properties

Compound Name[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine
PubChem CID129015888
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine
SMILESCCCC/C(C)=C1/CCOC(CN)C1=C(C)C
InChIInChI=1S/C15H27NO/c1-5-6-7-12(4)13-8-9-17-14(10-16)15(13)11(2)3/h14H,5-10,16H2,1-4H3/b13-12-
InChIKeyVCLLWUQEEMLSJI-SEYXRHQNSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-dimethyl-1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)-N-methylmethanamine
CID 89532756
1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
(5,7-Dimethyl-1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)methanamine
CID 89532758
2-(Aminomethyl)-3-propan-2-ylideneoxane-4-thione
CID 123498921
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine
CID 129015945
[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
CID 134408152
1,3,4,5,6,7,8,9-Octahydroindeno[2,1-c]pyran-1-ylmethanamine
CID 142603364
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221
(6-methylidene-3,4-dihydro-1H-cyclopenta[c]pyran-1-yl)methanamine
CID 163415695
[(4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 173681824

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine?
The IUPAC name of [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine (CID 129015888) is [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine.
What is the SMILES notation for [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine?
The canonical SMILES for [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine is CCCC/C(C)=C1/CCOC(CN)C1=C(C)C.
What is the InChIKey of [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine?
The InChIKey is VCLLWUQEEMLSJI-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-6-7-12(4)13-8-9-17-14(10-16)15(13)11(2)3/h14H,5-10,16H2,1-4H3/b13-12-.
What are the key properties of [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine?
[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine is sourced from PubChem (CID 129015888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).