3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine

C20H26N2 — CID 100978350

IUPAC3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine
SMILESCCN(CC)CC(C)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H26N2/c1-4-21(5-2)14-16(3)15-22-19-12-8-6-10-17(19)18-11-7-9-13-20(18)22/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyKHZHPAWLIYJDCF-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.77
Rot. Bonds6

About 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine

3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine (PubChem CID 100978350) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine
PubChem CID100978350
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine
SMILESCCN(CC)CC(C)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H26N2/c1-4-21(5-2)14-16(3)15-22-19-12-8-6-10-17(19)18-11-7-9-13-20(18)22/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyKHZHPAWLIYJDCF-UHFFFAOYSA-N
XLogP4.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
9-(3-ethoxy-2-methylpropyl)carbazole
CID 69165751
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
1-carbazol-9-ylpropan-2-amine
CID 21430322
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
9-[2-(bromomethyl)pentyl]carbazole
CID 65011374
3-ethenyl-9-(2-methylbutyl)carbazole
CID 69233320
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
CID 135295654
N-benzyl-3-carbazol-9-yl-2-methylpropan-1-amine
CID 100978353
9-(2,2-difluoroethyl)carbazole
CID 162535518
10-(2-methylpropyl)acridin-9-one
CID 59742563
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine?
The IUPAC name of 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine (CID 100978350) is 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine is CCN(CC)CC(C)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine?
The InChIKey is KHZHPAWLIYJDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-4-21(5-2)14-16(3)15-22-19-12-8-6-10-17(19)18-11-7-9-13-20(18)22/h6-13,16H,4-5,14-15H2,1-3H3.
What are the key properties of 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine?
3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine is sourced from PubChem (CID 100978350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).