N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride

C26H41Cl2N3 — CID 17214739

IUPACN',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCCCCN(CCCC)CCCNCc1ccc2c(c1)c1ccccc1n2CC.Cl.Cl
InChIInChI=1S/C26H39N3.2ClH/c1-4-7-17-28(18-8-5-2)19-11-16-27-21-22-14-15-26-24(20-22)23-12-9-10-13-25(23)29(26)6-3;;/h9-10,12-15,20,27H,4-8,11,16-19,21H2,1-3H3;2*1H
InChIKeyDUHCNARHUKZOMO-UHFFFAOYSA-N
MW466.54 g/mol
LogP7.04
Rot. Bonds13

About N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride

N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride (PubChem CID 17214739) has the molecular formula C26H41Cl2N3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride
PubChem CID17214739
Molecular FormulaC26H41Cl2N3
Molecular Weight466.54 g/mol
Exact Mass465.27
IUPAC NameN',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCCCCN(CCCC)CCCNCc1ccc2c(c1)c1ccccc1n2CC.Cl.Cl
InChIInChI=1S/C26H39N3.2ClH/c1-4-7-17-28(18-8-5-2)19-11-16-27-21-22-14-15-26-24(20-22)23-12-9-10-13-25(23)29(26)6-3;;/h9-10,12-15,20,27H,4-8,11,16-19,21H2,1-3H3;2*1H
InChIKeyDUHCNARHUKZOMO-UHFFFAOYSA-N
XLogP7.04
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride
CID 17331042
N-[[3,5-bis[[3-[(9-ethylcarbazol-3-yl)amino]propylamino]methyl]phenyl]methyl]-N'-(9-ethylcarbazol-3-yl)propane-1,3-diamine
CID 10373569
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(3-bromophenyl)methyl]-N',N'-dibutylpropane-1,3-diamine;dihydrochloride
CID 17214537
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
N',N'-dibutyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214443
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
5-[[(9-ethylcarbazol-3-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 55684008
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine
CID 175455395

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride (CID 17214739) is N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride is CCCCN(CCCC)CCCNCc1ccc2c(c1)c1ccccc1n2CC.Cl.Cl.
What is the InChIKey of N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride?
The InChIKey is DUHCNARHUKZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3.2ClH/c1-4-7-17-28(18-8-5-2)19-11-16-27-21-22-14-15-26-24(20-22)23-12-9-10-13-25(23)29(26)6-3;;/h9-10,12-15,20,27H,4-8,11,16-19,21H2,1-3H3;2*1H.
What are the key properties of N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride?
N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride has a molecular weight of 466.54 g/mol, XLogP of 7.04, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17214739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).