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

C16H25N3 — CID 117175412

IUPACN-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(C)C)c2ccc(CN)cc12
InChIInChI=1S/C16H25N3/c1-11(2)18-9-14-10-19(12(3)4)16-6-5-13(8-17)7-15(14)16/h5-7,10-12,18H,8-9,17H2,1-4H3
InChIKeyFBCMZRJKYICHIV-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.18
Rot. Bonds5

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

N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine (PubChem CID 117175412) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
PubChem CID117175412
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(C)C)c2ccc(CN)cc12
InChIInChI=1S/C16H25N3/c1-11(2)18-9-14-10-19(12(3)4)16-6-5-13(8-17)7-15(14)16/h5-7,10-12,18H,8-9,17H2,1-4H3
InChIKeyFBCMZRJKYICHIV-UHFFFAOYSA-N
XLogP3.18
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
CID 117179101
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine (CID 117175412) is N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine is CC(C)NCc1cn(C(C)C)c2ccc(CN)cc12.
What is the InChIKey of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine?
The InChIKey is FBCMZRJKYICHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)18-9-14-10-19(12(3)4)16-6-5-13(8-17)7-15(14)16/h5-7,10-12,18H,8-9,17H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine?
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.18, 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]propan-2-amine is sourced from PubChem (CID 117175412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).