N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine

C18H29N3 — CID 62095329

IUPACN-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CN)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H29N3/c1-13(2)21(12-14-4-5-14)18(11-19)15-6-7-17-16(10-15)8-9-20(17)3/h6-7,10,13-14,18H,4-5,8-9,11-12,19H2,1-3H3
InChIKeyBSZMGAUHBHMSMO-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.80
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62095329) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62095329
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CN)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H29N3/c1-13(2)21(12-14-4-5-14)18(11-19)15-6-7-17-16(10-15)8-9-20(17)3/h6-7,10,13-14,18H,4-5,8-9,11-12,19H2,1-3H3
InChIKeyBSZMGAUHBHMSMO-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
N-cyclopropyl-1-(1-methyl-2,3-dihydroindol-5-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62095166
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095500
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
N-[2-(dimethylamino)ethyl]-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 63694643
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 106528593
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65380739
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine (CID 62095329) is N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine is CC(C)N(CC1CC1)C(CN)c1ccc2c(c1)CCN2C.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is BSZMGAUHBHMSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)21(12-14-4-5-14)18(11-19)15-6-7-17-16(10-15)8-9-20(17)3/h6-7,10,13-14,18H,4-5,8-9,11-12,19H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62095329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).