(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine

C15H22N2 — CID 171206865

IUPAC(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
SMILESCc1[nH]c2ccccc2c1[C@H](N)CCC(C)C
InChIInChI=1S/C15H22N2/c1-10(2)8-9-13(16)15-11(3)17-14-7-5-4-6-12(14)15/h4-7,10,13,17H,8-9,16H2,1-3H3/t13-/m1/s1
InChIKeyCWCLCNROCZPJCE-CYBMUJFWSA-N
MW230.35 g/mol
LogP3.91
Rot. Bonds4

About (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine

(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine (PubChem CID 171206865) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
PubChem CID171206865
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
SMILESCc1[nH]c2ccccc2c1[C@H](N)CCC(C)C
InChIInChI=1S/C15H22N2/c1-10(2)8-9-13(16)15-11(3)17-14-7-5-4-6-12(14)15/h4-7,10,13,17H,8-9,16H2,1-3H3/t13-/m1/s1
InChIKeyCWCLCNROCZPJCE-CYBMUJFWSA-N
XLogP3.91
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.91
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

(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
CID 43096739
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370

Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine?
The IUPAC name of (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine (CID 171206865) is (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine?
The canonical SMILES for (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine is Cc1[nH]c2ccccc2c1[C@H](N)CCC(C)C.
What is the InChIKey of (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine?
The InChIKey is CWCLCNROCZPJCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)8-9-13(16)15-11(3)17-14-7-5-4-6-12(14)15/h4-7,10,13,17H,8-9,16H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine?
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine is sourced from PubChem (CID 171206865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).