4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine

C26H37N3 — CID 23936208

IUPAC4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine
SMILESCCC(C)CN(Cc1ccc2c(c1)c1ccccc1n2CC)C1CCC(N)CC1
InChIInChI=1S/C26H37N3/c1-4-19(3)17-28(22-13-11-21(27)12-14-22)18-20-10-15-26-24(16-20)23-8-6-7-9-25(23)29(26)5-2/h6-10,15-16,19,21-22H,4-5,11-14,17-18,27H2,1-3H3
InChIKeyRSYSVRPDCOJLAZ-UHFFFAOYSA-N
MW391.60 g/mol
LogP5.93
Rot. Bonds7

About 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine

4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine (PubChem CID 23936208) has the molecular formula C26H37N3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine
PubChem CID23936208
Molecular FormulaC26H37N3
Molecular Weight391.60 g/mol
Exact Mass391.30
IUPAC Name4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine
SMILESCCC(C)CN(Cc1ccc2c(c1)c1ccccc1n2CC)C1CCC(N)CC1
InChIInChI=1S/C26H37N3/c1-4-19(3)17-28(22-13-11-21(27)12-14-22)18-20-10-15-26-24(16-20)23-8-6-7-9-25(23)29(26)5-2/h6-10,15-16,19,21-22H,4-5,11-14,17-18,27H2,1-3H3
InChIKeyRSYSVRPDCOJLAZ-UHFFFAOYSA-N
XLogP5.93
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methylbutyl)-4-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23732317
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
4-[[4-[2-methylbutyl-[(4-nitrophenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23993708
[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
CID 166376331
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole
CID 7027663
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
(R)-cyclopentyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213069

Frequently Asked Questions

What is the IUPAC name of 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine (CID 23936208) is 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine is CCC(C)CN(Cc1ccc2c(c1)c1ccccc1n2CC)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine?
The InChIKey is RSYSVRPDCOJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3/c1-4-19(3)17-28(22-13-11-21(27)12-14-22)18-20-10-15-26-24(16-20)23-8-6-7-9-25(23)29(26)5-2/h6-10,15-16,19,21-22H,4-5,11-14,17-18,27H2,1-3H3.
What are the key properties of 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine?
4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine has a molecular weight of 391.60 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 23936208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).