N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine

C15H23N3 — CID 117175409

IUPACN-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(C(C)C)c2ccc(CN)cc12
InChIInChI=1S/C15H23N3/c1-4-17-9-13-10-18(11(2)3)15-6-5-12(8-16)7-14(13)15/h5-7,10-11,17H,4,8-9,16H2,1-3H3
InChIKeyYNSXVORGAYZZEI-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.79
Rot. Bonds5

About N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine

N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine (PubChem CID 117175409) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
PubChem CID117175409
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(C(C)C)c2ccc(CN)cc12
InChIInChI=1S/C15H23N3/c1-4-17-9-13-10-18(11(2)3)15-6-5-12(8-16)7-14(13)15/h5-7,10-11,17H,4,8-9,16H2,1-3H3
InChIKeyYNSXVORGAYZZEI-UHFFFAOYSA-N
XLogP2.79
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
CID 119027489
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine (CID 117175409) is N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine is CCNCc1cn(C(C)C)c2ccc(CN)cc12.
What is the InChIKey of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine?
The InChIKey is YNSXVORGAYZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-17-9-13-10-18(11(2)3)15-6-5-12(8-16)7-14(13)15/h5-7,10-11,17H,4,8-9,16H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine?
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine is sourced from PubChem (CID 117175409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).