4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine

C20H26BrN3 — CID 57081420

IUPAC4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine
SMILESCN(C)CCC(CBr)(c1cccc2c1[nH]c1ccccc12)N(C)C
InChIInChI=1S/C20H26BrN3/c1-23(2)13-12-20(14-21,24(3)4)17-10-7-9-16-15-8-5-6-11-18(15)22-19(16)17/h5-11,22H,12-14H2,1-4H3
InChIKeyBCULWKXGMDQPHE-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.42
Rot. Bonds6

About 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine

4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine (PubChem CID 57081420) has the molecular formula C20H26BrN3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine
PubChem CID57081420
Molecular FormulaC20H26BrN3
Molecular Weight388.35 g/mol
Exact Mass387.13
IUPAC Name4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine
SMILESCN(C)CCC(CBr)(c1cccc2c1[nH]c1ccccc12)N(C)C
InChIInChI=1S/C20H26BrN3/c1-23(2)13-12-20(14-21,24(3)4)17-10-7-9-16-15-8-5-6-11-18(15)22-19(16)17/h5-11,22H,12-14H2,1-4H3
InChIKeyBCULWKXGMDQPHE-UHFFFAOYSA-N
XLogP4.42
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine?
The IUPAC name of 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine (CID 57081420) is 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine.
What is the SMILES notation for 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine?
The canonical SMILES for 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine is CN(C)CCC(CBr)(c1cccc2c1[nH]c1ccccc12)N(C)C.
What is the InChIKey of 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine?
The InChIKey is BCULWKXGMDQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3/c1-23(2)13-12-20(14-21,24(3)4)17-10-7-9-16-15-8-5-6-11-18(15)22-19(16)17/h5-11,22H,12-14H2,1-4H3.
What are the key properties of 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine?
4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine has a molecular weight of 388.35 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(9H-carbazol-1-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine is sourced from PubChem (CID 57081420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).