N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine

C32H33N3 — CID 160567842

IUPACN,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1ccc2c(c1)c1ccccc1n2CC)Cc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C32H33N3/c1-4-33(21-23-15-17-31-27(19-23)25-11-7-9-13-29(25)34(31)5-2)22-24-16-18-32-28(20-24)26-12-8-10-14-30(26)35(32)6-3/h7-20H,4-6,21-22H2,1-3H3
InChIKeyCXXNDRNDJJNBNO-UHFFFAOYSA-N
MW459.64 g/mol
LogP7.96
Rot. Bonds7

About N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine

N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine (PubChem CID 160567842) has the molecular formula C32H33N3 and a molecular weight of 459.64 g/mol. Its IUPAC name is N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
PubChem CID160567842
Molecular FormulaC32H33N3
Molecular Weight459.64 g/mol
Exact Mass459.27
IUPAC NameN,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1ccc2c(c1)c1ccccc1n2CC)Cc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C32H33N3/c1-4-33(21-23-15-17-31-27(19-23)25-11-7-9-13-29(25)34(31)5-2)22-24-16-18-32-28(20-24)26-12-8-10-14-30(26)35(32)6-3/h7-20H,4-6,21-22H2,1-3H3
InChIKeyCXXNDRNDJJNBNO-UHFFFAOYSA-N
XLogP7.96
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
CID 166376331
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium
CID 6937648
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine?
The IUPAC name of N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine (CID 160567842) is N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine?
The canonical SMILES for N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine is CCN(Cc1ccc2c(c1)c1ccccc1n2CC)Cc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine?
The InChIKey is CXXNDRNDJJNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3/c1-4-33(21-23-15-17-31-27(19-23)25-11-7-9-13-29(25)34(31)5-2)22-24-16-18-32-28(20-24)26-12-8-10-14-30(26)35(32)6-3/h7-20H,4-6,21-22H2,1-3H3.
What are the key properties of N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine?
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine has a molecular weight of 459.64 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 160567842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).