ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine

C24H50N2 — CID 143122860

IUPACethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine
SMILESC/C=C(/C)C/C=C\C=C/CN.CC.CCCCC(C)CCC.[H]N=C(C)C
InChIInChI=1S/C10H17N.C9H20.C3H7N.C2H6/c1-3-10(2)8-6-4-5-7-9-11;1-4-6-8-9(3)7-5-2;1-3(2)4;1-2/h3-7H,8-9,11H2,1-2H3;9H,4-8H2,1-3H3;4H,1-2H3;1-2H3/b6-4-,7-5-,10-3-;;;
InChIKeyKBOIWRMCBMCVAD-OAIYHJLCSA-N
MW366.68 g/mol
LogP8.10
Rot. Bonds9

About ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine

ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine (PubChem CID 143122860) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine.

Molecular Properties

Compound Nameethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine
PubChem CID143122860
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Nameethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine
SMILESC/C=C(/C)C/C=C\C=C/CN.CC.CCCCC(C)CCC.[H]N=C(C)C
InChIInChI=1S/C10H17N.C9H20.C3H7N.C2H6/c1-3-10(2)8-6-4-5-7-9-11;1-4-6-8-9(3)7-5-2;1-3(2)4;1-2/h3-7H,8-9,11H2,1-2H3;9H,4-8H2,1-3H3;4H,1-2H3;1-2H3/b6-4-,7-5-,10-3-;;;
InChIKeyKBOIWRMCBMCVAD-OAIYHJLCSA-N
XLogP8.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine?
The IUPAC name of ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine (CID 143122860) is ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine.
What is the SMILES notation for ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine?
The canonical SMILES for ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine is C/C=C(/C)C/C=C\C=C/CN.CC.CCCCC(C)CCC.[H]N=C(C)C.
What is the InChIKey of ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine?
The InChIKey is KBOIWRMCBMCVAD-OAIYHJLCSA-N. The full InChI is InChI=1S/C10H17N.C9H20.C3H7N.C2H6/c1-3-10(2)8-6-4-5-7-9-11;1-4-6-8-9(3)7-5-2;1-3(2)4;1-2/h3-7H,8-9,11H2,1-2H3;9H,4-8H2,1-3H3;4H,1-2H3;1-2H3/b6-4-,7-5-,10-3-;;;.
What are the key properties of ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine?
ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine has a molecular weight of 366.68 g/mol, XLogP of 8.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z,7Z)-7-methylnona-2,4,7-trien-1-amine;4-methyloctane;propan-2-imine is sourced from PubChem (CID 143122860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).