(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C18H26N2 — CID 73057285

IUPAC(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCC(C)N(C(C)C)[C@H]1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H26N2/c1-12(2)20(13(3)4)14-9-10-18-16(11-14)15-7-5-6-8-17(15)19-18/h5-8,12-14,19H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyNQCREMCGJYWJKR-AWEZNQCLSA-N
MW270.42 g/mol
LogP4.14
Rot. Bonds3

About (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine

(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 73057285) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID73057285
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCC(C)N(C(C)C)[C@H]1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H26N2/c1-12(2)20(13(3)4)14-9-10-18-16(11-14)15-7-5-6-8-17(15)19-18/h5-8,12-14,19H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyNQCREMCGJYWJKR-AWEZNQCLSA-N
XLogP4.14
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 170652555
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 65335385
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 154734790
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 73057285) is (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CC(C)N(C(C)C)[C@H]1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is NQCREMCGJYWJKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2/c1-12(2)20(13(3)4)14-9-10-18-16(11-14)15-7-5-6-8-17(15)19-18/h5-8,12-14,19H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 270.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 73057285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).