N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine

C18H26N2 — CID 96679061

IUPACN-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
SMILESCc1c(CCNC2CC2)c2cc(C(C)C)ccc2n1C
InChIInChI=1S/C18H26N2/c1-12(2)14-5-8-18-17(11-14)16(13(3)20(18)4)9-10-19-15-6-7-15/h5,8,11-12,15,19H,6-7,9-10H2,1-4H3
InChIKeyVUVFVYHNJNIQKS-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine

N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine (PubChem CID 96679061) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
PubChem CID96679061
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
SMILESCc1c(CCNC2CC2)c2cc(C(C)C)ccc2n1C
InChIInChI=1S/C18H26N2/c1-12(2)14-5-8-18-17(11-14)16(13(3)20(18)4)9-10-19-15-6-7-15/h5,8,11-12,15,19H,6-7,9-10H2,1-4H3
InChIKeyVUVFVYHNJNIQKS-UHFFFAOYSA-N
XLogP3.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
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-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96676952
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 96662680
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
CID 82494938
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 115149551
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine (CID 96679061) is N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine is Cc1c(CCNC2CC2)c2cc(C(C)C)ccc2n1C.
What is the InChIKey of N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
The InChIKey is VUVFVYHNJNIQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12(2)14-5-8-18-17(11-14)16(13(3)20(18)4)9-10-19-15-6-7-15/h5,8,11-12,15,19H,6-7,9-10H2,1-4H3.
What are the key properties of N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine has a molecular weight of 270.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 96679061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).