ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine

C24H53NO — CID 143899958

IUPACethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine
SMILESC/C=C(\C=C(\C)CC)OC.CC.CCCC(C)C.CCCN(C)CCC
InChIInChI=1S/C9H16O.C7H17N.C6H14.C2H6/c1-5-8(3)7-9(6-2)10-4;1-4-6-8(3)7-5-2;1-4-5-6(2)3;1-2/h6-7H,5H2,1-4H3;4-7H2,1-3H3;6H,4-5H2,1-3H3;1-2H3/b8-7-,9-6+;;;
InChIKeyFWOUCLHRMSWMRK-XRLZDLHASA-N
MW371.69 g/mol
LogP8.10
Rot. Bonds9

About ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine

ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine (PubChem CID 143899958) has the molecular formula C24H53NO and a molecular weight of 371.69 g/mol. Its IUPAC name is ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine
PubChem CID143899958
Molecular FormulaC24H53NO
Molecular Weight371.69 g/mol
Exact Mass371.41
IUPAC Nameethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine
SMILESC/C=C(\C=C(\C)CC)OC.CC.CCCC(C)C.CCCN(C)CCC
InChIInChI=1S/C9H16O.C7H17N.C6H14.C2H6/c1-5-8(3)7-9(6-2)10-4;1-4-6-8(3)7-5-2;1-4-5-6(2)3;1-2/h6-7H,5H2,1-4H3;4-7H2,1-3H3;6H,4-5H2,1-3H3;1-2H3/b8-7-,9-6+;;;
InChIKeyFWOUCLHRMSWMRK-XRLZDLHASA-N
XLogP8.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.69
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
(3E,5E)-5-methoxy-3-methylocta-3,5-diene
CID 143342080
ethane;methyl carbamate;2-methylpentane;molecular hydrogen
CID 143037525
ethane;2-methylpentane
CID 143713716
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane
CID 7892
1-[methyl(propyl)amino]pentan-2-ol
CID 62042570
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
CID 143103707
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine?
The IUPAC name of ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine (CID 143899958) is ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine?
The canonical SMILES for ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine is C/C=C(\C=C(\C)CC)OC.CC.CCCC(C)C.CCCN(C)CCC.
What is the InChIKey of ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine?
The InChIKey is FWOUCLHRMSWMRK-XRLZDLHASA-N. The full InChI is InChI=1S/C9H16O.C7H17N.C6H14.C2H6/c1-5-8(3)7-9(6-2)10-4;1-4-6-8(3)7-5-2;1-4-5-6(2)3;1-2/h6-7H,5H2,1-4H3;4-7H2,1-3H3;6H,4-5H2,1-3H3;1-2H3/b8-7-,9-6+;;;.
What are the key properties of ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine?
ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine has a molecular weight of 371.69 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 143899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).