2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol

C18H24N2O — CID 114756055

IUPAC2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCCc3c2[nH]c2ccccc32)CC1
InChIInChI=1S/C18H24N2O/c21-11-10-18(8-9-18)12-19-16-7-3-5-14-13-4-1-2-6-15(13)20-17(14)16/h1-2,4,6,16,19-21H,3,5,7-12H2
InChIKeyNIIPFGDMTZHXLN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.30
Rot. Bonds5

About 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114756055) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114756055
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCCc3c2[nH]c2ccccc32)CC1
InChIInChI=1S/C18H24N2O/c21-11-10-18(8-9-18)12-19-16-7-3-5-14-13-4-1-2-6-15(13)20-17(14)16/h1-2,4,6,16,19-21H,3,5,7-12H2
InChIKeyNIIPFGDMTZHXLN-UHFFFAOYSA-N
XLogP3.30
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 58020443
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 176892760
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol (CID 114756055) is 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol is OCCC1(CNC2CCCc3c2[nH]c2ccccc32)CC1.
What is the InChIKey of 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is NIIPFGDMTZHXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-11-10-18(8-9-18)12-19-16-7-3-5-14-13-4-1-2-6-15(13)20-17(14)16/h1-2,4,6,16,19-21H,3,5,7-12H2.
What are the key properties of 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).