2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol

C21H26N2O — CID 132560861

IUPAC2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)/N=C/c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C21H26N2O/c1-4-15(3)19(14-24)22-13-16-10-11-21-18(12-16)17-8-6-7-9-20(17)23(21)5-2/h6-13,15,19,24H,4-5,14H2,1-3H3/b22-13+
InChIKeyXOKYOUONCZBVSK-LPYMAVHISA-N
MW322.45 g/mol
LogP4.64
Rot. Bonds6

About 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol

2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol (PubChem CID 132560861) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol
PubChem CID132560861
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)/N=C/c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C21H26N2O/c1-4-15(3)19(14-24)22-13-16-10-11-21-18(12-16)17-8-6-7-9-20(17)23(21)5-2/h6-13,15,19,24H,4-5,14H2,1-3H3/b22-13+
InChIKeyXOKYOUONCZBVSK-LPYMAVHISA-N
XLogP4.64
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 781157
4-[(E)-5-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]oxypentoxyiminomethyl]benzene-1,2-diol
CID 177397840
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
CID 12752582
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
3-butan-2-yl-9-ethylcarbazole
CID 23520664
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[2-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 12023189
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 59653627
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995

Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol?
The IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol (CID 132560861) is 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol?
The canonical SMILES for 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol is CCC(C)C(CO)/N=C/c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol?
The InChIKey is XOKYOUONCZBVSK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-15(3)19(14-24)22-13-16-10-11-21-18(12-16)17-8-6-7-9-20(17)23(21)5-2/h6-13,15,19,24H,4-5,14H2,1-3H3/b22-13+.
What are the key properties of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol?
2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol has a molecular weight of 322.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol is sourced from PubChem (CID 132560861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).