N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine

C17H21N3 — CID 117097320

IUPACN'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine
SMILESCCc1cccc2c1[nH]c1cc(NCCCN)ccc12
InChIInChI=1S/C17H21N3/c1-2-12-5-3-6-15-14-8-7-13(19-10-4-9-18)11-16(14)20-17(12)15/h3,5-8,11,19-20H,2,4,9-10,18H2,1H3
InChIKeyFEJWJVGMSVQIGS-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.64
Rot. Bonds5

About N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine

N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine (PubChem CID 117097320) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine
PubChem CID117097320
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine
SMILESCCc1cccc2c1[nH]c1cc(NCCCN)ccc12
InChIInChI=1S/C17H21N3/c1-2-12-5-3-6-15-14-8-7-13(19-10-4-9-18)11-16(14)20-17(12)15/h3,5-8,11,19-20H,2,4,9-10,18H2,1H3
InChIKeyFEJWJVGMSVQIGS-UHFFFAOYSA-N
XLogP3.64
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(8-ethyl-9H-carbazol-2-yl)sulfamoyl chloride
CID 84760588
6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
CID 58936020
6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21010584
(E)-N-(8-ethyl-9H-carbazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397395
N-(8-ethyl-9H-carbazol-2-yl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499212
1-ethyl-6,7-dimethoxy-9H-carbazole
CID 23270445
N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010573
3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
CID 14393061
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide
CID 84567768
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
1-nonyl-9H-carbazole
CID 66872642
N-(8-formamido-9H-carbazol-2-yl)formamide
CID 174862208

Frequently Asked Questions

What is the IUPAC name of N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine (CID 117097320) is N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine is CCc1cccc2c1[nH]c1cc(NCCCN)ccc12.
What is the InChIKey of N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine?
The InChIKey is FEJWJVGMSVQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-12-5-3-6-15-14-8-7-13(19-10-4-9-18)11-16(14)20-17(12)15/h3,5-8,11,19-20H,2,4,9-10,18H2,1H3.
What are the key properties of N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine?
N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine has a molecular weight of 267.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 117097320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).