ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine

C26H52N2 — CID 142120671

IUPACethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine
SMILESCC.CCCCC(CCCC)N(CCC)C(/N=C\C=C(/C)CCC)=C(/C)CC
InChIInChI=1S/C24H46N2.C2H6/c1-8-13-16-23(17-14-9-2)26(20-11-4)24(22(7)12-5)25-19-18-21(6)15-10-3;1-2/h18-19,23H,8-17,20H2,1-7H3;1-2H3/b21-18+,24-22-,25-19-;
InChIKeyBYSZHWPUUQDADO-DIKZYTQVSA-N
MW392.72 g/mol
LogP8.93
Rot. Bonds15

About ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine

ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine (PubChem CID 142120671) has the molecular formula C26H52N2 and a molecular weight of 392.72 g/mol. Its IUPAC name is ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine.

Molecular Properties

Compound Nameethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine
PubChem CID142120671
Molecular FormulaC26H52N2
Molecular Weight392.72 g/mol
Exact Mass392.41
IUPAC Nameethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine
SMILESCC.CCCCC(CCCC)N(CCC)C(/N=C\C=C(/C)CCC)=C(/C)CC
InChIInChI=1S/C24H46N2.C2H6/c1-8-13-16-23(17-14-9-2)26(20-11-4)24(22(7)12-5)25-19-18-21(6)15-10-3;1-2/h18-19,23H,8-17,20H2,1-7H3;1-2H3/b21-18+,24-22-,25-19-;
InChIKeyBYSZHWPUUQDADO-DIKZYTQVSA-N
XLogP8.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
CID 142121293
12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine
CID 123603822
1-[(Z)-octadec-9-enyl]-2H-pyrimidine
CID 139947941
ethane;N-methyl-N-[[(Z)-[(E)-pent-2-enylidene]amino]methyl]heptan-2-amine
CID 141876896
N-[[(Z)-[(E)-hex-2-enylidene]amino]methyl]-N-prop-1-en-2-ylpentan-2-amine;2-methylpropane
CID 141876945
ethane;N-ethyl-N-[1-[(Z)-[(E)-3-methylpent-2-enylidene]amino]propa-1,2-dienyl]nonan-5-amine
CID 141877459
(1Z,2E,6Z)-N-(2,2-dimethylpropyl)-6-ethyl-N-heptan-4-yl-4,5-dihydroazocin-2-amine
CID 141877832
ethane;N-[1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]propa-1,2-dienyl]-N-propylbutan-1-amine
CID 141939399
ethane;N-[[(Z)-[(Z)-2-fluoropent-2-enylidene]amino]methyl]-N-methylnonan-5-amine
CID 141939437
(1Z,2E,6Z)-N-(2,2-dimethylpropyl)-N-heptan-4-yl-6-propyl-4,5-dihydroazocin-2-amine
CID 141939469
N-butan-2-yl-N,5-dipropyl-4H-azepin-2-amine
CID 141939755
1-N'-heptan-2-yl-1-N'-[(Z)-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]prop-1-enyl]ethene-1,1-diamine
CID 141939980

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine?
The IUPAC name of ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine (CID 142120671) is ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine.
What is the SMILES notation for ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine?
The canonical SMILES for ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine is CC.CCCCC(CCCC)N(CCC)C(/N=C\C=C(/C)CCC)=C(/C)CC.
What is the InChIKey of ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine?
The InChIKey is BYSZHWPUUQDADO-DIKZYTQVSA-N. The full InChI is InChI=1S/C24H46N2.C2H6/c1-8-13-16-23(17-14-9-2)26(20-11-4)24(22(7)12-5)25-19-18-21(6)15-10-3;1-2/h18-19,23H,8-17,20H2,1-7H3;1-2H3/b21-18+,24-22-,25-19-;.
What are the key properties of ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine?
ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine has a molecular weight of 392.72 g/mol, XLogP of 8.93, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine is sourced from PubChem (CID 142120671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).