1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine

C15H23N3 — CID 117182558

IUPAC1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
SMILESCC(C)NCc1cn(C(C)C)c2c(N)cccc12
InChIInChI=1S/C15H23N3/c1-10(2)17-8-12-9-18(11(3)4)15-13(12)6-5-7-14(15)16/h5-7,9-11,17H,8,16H2,1-4H3
InChIKeyWDCLOWTYVDXXMX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds4

About 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine

1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine (PubChem CID 117182558) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
PubChem CID117182558
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
SMILESCC(C)NCc1cn(C(C)C)c2c(N)cccc12
InChIInChI=1S/C15H23N3/c1-10(2)17-8-12-9-18(11(3)4)15-13(12)6-5-7-14(15)16/h5-7,9-11,17H,8,16H2,1-4H3
InChIKeyWDCLOWTYVDXXMX-UHFFFAOYSA-N
XLogP3.30
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine 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

1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine
CID 117171487
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
CID 117179101
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine?
The IUPAC name of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine (CID 117182558) is 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine.
What is the SMILES notation for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine?
The canonical SMILES for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine is CC(C)NCc1cn(C(C)C)c2c(N)cccc12.
What is the InChIKey of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine?
The InChIKey is WDCLOWTYVDXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)17-8-12-9-18(11(3)4)15-13(12)6-5-7-14(15)16/h5-7,9-11,17H,8,16H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine?
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine has a molecular weight of 245.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine is sourced from PubChem (CID 117182558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).