(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine

C12H17N3 — CID 104868036

IUPAC(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCc1cccc2[nH]ccc12
InChIInChI=1S/C12H17N3/c1-9(7-13)15-8-10-3-2-4-12-11(10)5-6-14-12/h2-6,9,14-15H,7-8,13H2,1H3/t9-/m1/s1
InChIKeyAQDJFGHMJKBRNZ-SECBINFHSA-N
MW203.29 g/mol
LogP1.60
Rot. Bonds4

About (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine

(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine (PubChem CID 104868036) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
PubChem CID104868036
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCc1cccc2[nH]ccc12
InChIInChI=1S/C12H17N3/c1-9(7-13)15-8-10-3-2-4-12-11(10)5-6-14-12/h2-6,9,14-15H,7-8,13H2,1H3/t9-/m1/s1
InChIKeyAQDJFGHMJKBRNZ-SECBINFHSA-N
XLogP1.60
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
ethane;1H-indol-4-ylmethanamine
CID 144540106
N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
CID 106224730
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine (CID 104868036) is (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine is C[C@H](CN)NCc1cccc2[nH]ccc12.
What is the InChIKey of (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine?
The InChIKey is AQDJFGHMJKBRNZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(7-13)15-8-10-3-2-4-12-11(10)5-6-14-12/h2-6,9,14-15H,7-8,13H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine?
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104868036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).