N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine

C18H26N2 — CID 96679064

IUPACN-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine
SMILESCc1[nH]c2ccc(C(C)(C)C)cc2c1CCNC1CC1
InChIInChI=1S/C18H26N2/c1-12-15(9-10-19-14-6-7-14)16-11-13(18(2,3)4)5-8-17(16)20-12/h5,8,11,14,19-20H,6-7,9-10H2,1-4H3
InChIKeyUWVBBQDYDRBWCV-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.07
Rot. Bonds4

About N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine

N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine (PubChem CID 96679064) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine
PubChem CID96679064
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine
SMILESCc1[nH]c2ccc(C(C)(C)C)cc2c1CCNC1CC1
InChIInChI=1S/C18H26N2/c1-12-15(9-10-19-14-6-7-14)16-11-13(18(2,3)4)5-8-17(16)20-12/h5,8,11,14,19-20H,6-7,9-10H2,1-4H3
InChIKeyUWVBBQDYDRBWCV-UHFFFAOYSA-N
XLogP4.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.07
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-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 96662677
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202
2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84743209
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
CID 54891238
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-cyclohexylthiourea
CID 43952994
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine (CID 96679064) is N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine is Cc1[nH]c2ccc(C(C)(C)C)cc2c1CCNC1CC1.
What is the InChIKey of N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine?
The InChIKey is UWVBBQDYDRBWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12-15(9-10-19-14-6-7-14)16-11-13(18(2,3)4)5-8-17(16)20-12/h5,8,11,14,19-20H,6-7,9-10H2,1-4H3.
What are the key properties of N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine?
N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine has a molecular weight of 270.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 96679064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).