1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine

C31H34N4 — CID 158535131

IUPAC1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
SMILESCN(C)Cc1ccc2c(c1)c1ccccc1n2C.CN(C)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H18N2.C15H16N2/c1-17(2)11-12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)3;1-16(2)11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h4-10H,11H2,1-3H3;3-10H,11H2,1-2H3
InChIKeyHNVRXFSMMNYWSO-UHFFFAOYSA-N
MW462.64 g/mol
LogP6.71
Rot. Bonds4

About 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine

1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine (PubChem CID 158535131) has the molecular formula C31H34N4 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine.

Molecular Properties

Compound Name1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
PubChem CID158535131
Molecular FormulaC31H34N4
Molecular Weight462.64 g/mol
Exact Mass462.28
IUPAC Name1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
SMILESCN(C)Cc1ccc2c(c1)c1ccccc1n2C.CN(C)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H18N2.C15H16N2/c1-17(2)11-12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)3;1-16(2)11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h4-10H,11H2,1-3H3;3-10H,11H2,1-2H3
InChIKeyHNVRXFSMMNYWSO-UHFFFAOYSA-N
XLogP6.71
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
CID 157122077
ethane;bis(9-methylcarbazole)
CID 159710949
2-ethyl-9-methylcarbazole
CID 71038255
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
CID 166376331
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
5,12-dimethyl-9-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194420
1-carbazol-9-yl-N,N-difluoromethanamine
CID 145129490

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine?
The IUPAC name of 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine (CID 158535131) is 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine.
What is the SMILES notation for 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine?
The canonical SMILES for 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine is CN(C)Cc1ccc2c(c1)c1ccccc1n2C.CN(C)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine?
The InChIKey is HNVRXFSMMNYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C15H16N2/c1-17(2)11-12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)3;1-16(2)11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h4-10H,11H2,1-3H3;3-10H,11H2,1-2H3.
What are the key properties of 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine?
1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine has a molecular weight of 462.64 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine is sourced from PubChem (CID 158535131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).