7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine

C28H45N — CID 70597877

IUPAC7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine
SMILESCCCCCCCCCCCCCCCC/C=C\NC1C=Cc2cccc(C)c21
InChIInChI=1S/C28H45N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27-23-22-26-21-19-20-25(2)28(26)27/h18-24,27,29H,3-17H2,1-2H3/b24-18-
InChIKeyNEQHOLNWJHRRRQ-MOHJPFBDSA-N
MW395.68 g/mol
LogP9.04
Rot. Bonds17

About 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine

7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine (PubChem CID 70597877) has the molecular formula C28H45N and a molecular weight of 395.68 g/mol. Its IUPAC name is 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine.

Molecular Properties

Compound Name7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine
PubChem CID70597877
Molecular FormulaC28H45N
Molecular Weight395.68 g/mol
Exact Mass395.36
IUPAC Name7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine
SMILESCCCCCCCCCCCCCCCC/C=C\NC1C=Cc2cccc(C)c21
InChIInChI=1S/C28H45N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27-23-22-26-21-19-20-25(2)28(26)27/h18-24,27,29H,3-17H2,1-2H3/b24-18-
InChIKeyNEQHOLNWJHRRRQ-MOHJPFBDSA-N
XLogP9.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.68
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
1,3-dimethyl-2-oct-1-enylsulfanylbenzene
CID 71416611
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
3-(dodec-1-enylamino)-2-methylphenol
CID 141397249
1-heptadec-1-enoxy-2-methylbenzene
CID 156783905
1-henicos-1-enoxy-2-methylbenzene
CID 156783878
hexane;1,2,3-trimethylbenzene
CID 159405289
(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 11231456
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
7-methyl-1H-inden-1-amine
CID 82157961
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine?
The IUPAC name of 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine (CID 70597877) is 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine.
What is the SMILES notation for 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine?
The canonical SMILES for 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine is CCCCCCCCCCCCCCCC/C=C\NC1C=Cc2cccc(C)c21.
What is the InChIKey of 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine?
The InChIKey is NEQHOLNWJHRRRQ-MOHJPFBDSA-N. The full InChI is InChI=1S/C28H45N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27-23-22-26-21-19-20-25(2)28(26)27/h18-24,27,29H,3-17H2,1-2H3/b24-18-.
What are the key properties of 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine?
7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine has a molecular weight of 395.68 g/mol, XLogP of 9.04, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(Z)-octadec-1-enyl]-1H-inden-1-amine is sourced from PubChem (CID 70597877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).