ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine

C15H29NO — CID 177149147

IUPACethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine
SMILESC/C=C\C(=C/C)CNCC1(C)CCOC1.CC
InChIInChI=1S/C13H23NO.C2H6/c1-4-6-12(5-2)9-14-10-13(3)7-8-15-11-13;1-2/h4-6,14H,7-11H2,1-3H3;1-2H3/b6-4-,12-5+;
InChIKeyLBOXIRGSSPCDOW-QRGVYOGNSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds5

About ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine

ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine (PubChem CID 177149147) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine
PubChem CID177149147
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine
SMILESC/C=C\C(=C/C)CNCC1(C)CCOC1.CC
InChIInChI=1S/C13H23NO.C2H6/c1-4-6-12(5-2)9-14-10-13(3)7-8-15-11-13;1-2/h4-6,14H,7-11H2,1-3H3;1-2H3/b6-4-,12-5+;
InChIKeyLBOXIRGSSPCDOW-QRGVYOGNSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
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

ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
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CID 103742481
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673614
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014
(3-methyloxolan-3-yl)methanethiol
CID 155973621
3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
CID 177177757
N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide
CID 123969061
3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
CID 170119117

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine?
The IUPAC name of ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine (CID 177149147) is ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine is C/C=C\C(=C/C)CNCC1(C)CCOC1.CC.
What is the InChIKey of ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine?
The InChIKey is LBOXIRGSSPCDOW-QRGVYOGNSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-4-6-12(5-2)9-14-10-13(3)7-8-15-11-13;1-2/h4-6,14H,7-11H2,1-3H3;1-2H3/b6-4-,12-5+;.
What are the key properties of ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine?
ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2E)-2-ethylidene-N-[(3-methyloxolan-3-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 177149147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).