(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C19H25N3O2 — CID 2261168

IUPAC(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC1CCC(N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C19H25N3O2/c1-12-5-7-13(8-6-12)20-18-4-2-3-15-16-11-14(22(23)24)9-10-17(16)21-19(15)18/h9-13,18,20-21H,2-8H2,1H3/t12?,13?,18-/m0/s1
InChIKeyUOWLCEXFOGGEND-KJBLDROHSA-N
MW327.43 g/mol
LogP4.62
Rot. Bonds3

About (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 2261168) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID2261168
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC1CCC(N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C19H25N3O2/c1-12-5-7-13(8-6-12)20-18-4-2-3-15-16-11-14(22(23)24)9-10-17(16)21-19(15)18/h9-13,18,20-21H,2-8H2,1H3/t12?,13?,18-/m0/s1
InChIKeyUOWLCEXFOGGEND-KJBLDROHSA-N
XLogP4.62
TPSA70.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 7463638
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
(1S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 7463674
(1R)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 7463671
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 59014607
(1R)-N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1366741
(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1350026
2-methoxy-4-[(2S)-2-[[(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]propyl]phenol
CID 7463711
2-methoxy-4-[2-[(6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl]phenol
CID 2867804
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
6-cyclohexyl-N-[2-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2839198
6-cyclohexyl-N-[2-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 2839197

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 2261168) is (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC1CCC(N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1.
What is the InChIKey of (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is UOWLCEXFOGGEND-KJBLDROHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-5-7-13(8-6-12)20-18-4-2-3-15-16-11-14(22(23)24)9-10-17(16)21-19(15)18/h9-13,18,20-21H,2-8H2,1H3/t12?,13?,18-/m0/s1.
What are the key properties of (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 327.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 2261168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).