N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C19H26N2 — CID 107416848

IUPACN-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC1CCCC1CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H26N2/c1-13-6-4-7-14(13)12-20-18-11-5-9-16-15-8-2-3-10-17(15)21-19(16)18/h2-3,8,10,13-14,18,20-21H,4-7,9,11-12H2,1H3
InChIKeyLYIFHONIEDLNDO-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.57
Rot. Bonds3

About N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 107416848) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID107416848
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC1CCCC1CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H26N2/c1-13-6-4-7-14(13)12-20-18-11-5-9-16-15-8-2-3-10-17(15)21-19(16)18/h2-3,8,10,13-14,18,20-21H,4-7,9,11-12H2,1H3
InChIKeyLYIFHONIEDLNDO-UHFFFAOYSA-N
XLogP4.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
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-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
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'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
CID 114756055
N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 58020443

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 107416848) is N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC1CCCC1CNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is LYIFHONIEDLNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13-6-4-7-14(13)12-20-18-11-5-9-16-15-8-2-3-10-17(15)21-19(16)18/h2-3,8,10,13-14,18,20-21H,4-7,9,11-12H2,1H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 107416848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).