[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine

C30H43N3 — CID 142934267

IUPAC[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCCn1c2ccccc2c2cc(CN(CC3CCCCC3)CC3CCC(CN)CC3)ccc21
InChIInChI=1S/C30H43N3/c1-2-33-29-11-7-6-10-27(29)28-18-26(16-17-30(28)33)22-32(20-24-8-4-3-5-9-24)21-25-14-12-23(19-31)13-15-25/h6-7,10-11,16-18,23-25H,2-5,8-9,12-15,19-22,31H2,1H3
InChIKeyJOZGNKDHUARBKL-UHFFFAOYSA-N
MW445.70 g/mol
LogP6.96
Rot. Bonds8

About [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934267) has the molecular formula C30H43N3 and a molecular weight of 445.70 g/mol. Its IUPAC name is [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934267
Molecular FormulaC30H43N3
Molecular Weight445.70 g/mol
Exact Mass445.35
IUPAC Name[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCCn1c2ccccc2c2cc(CN(CC3CCCCC3)CC3CCC(CN)CC3)ccc21
InChIInChI=1S/C30H43N3/c1-2-33-29-11-7-6-10-27(29)28-18-26(16-17-30(28)33)22-32(20-24-8-4-3-5-9-24)21-25-14-12-23(19-31)13-15-25/h6-7,10-11,16-18,23-25H,2-5,8-9,12-15,19-22,31H2,1H3
InChIKeyJOZGNKDHUARBKL-UHFFFAOYSA-N
XLogP6.96
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.70
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine
CID 23936208
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
[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
CID 166376331
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
(R)-cyclopentyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213069

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934267) is [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine is CCn1c2ccccc2c2cc(CN(CC3CCCCC3)CC3CCC(CN)CC3)ccc21.
What is the InChIKey of [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is JOZGNKDHUARBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3/c1-2-33-29-11-7-6-10-27(29)28-18-26(16-17-30(28)33)22-32(20-24-8-4-3-5-9-24)21-25-14-12-23(19-31)13-15-25/h6-7,10-11,16-18,23-25H,2-5,8-9,12-15,19-22,31H2,1H3.
What are the key properties of [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 445.70 g/mol, XLogP of 6.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).