N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine

C13H18N2 — CID 169026501

IUPACN-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine
SMILES[2H]C(Cc1c[nH]c2ccccc12)NCCC
InChIInChI=1S/C13H18N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h3-6,10,14-15H,2,7-9H2,1H3/i9D
InChIKeyKBFBIAGUZWNRFI-QOWOAITPSA-N
MW203.31 g/mol
LogP2.71
Rot. Bonds5

About N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine

N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 169026501) has the molecular formula C13H18N2 and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID169026501
Molecular FormulaC13H18N2
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC NameN-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine
SMILES[2H]C(Cc1c[nH]c2ccccc12)NCCC
InChIInChI=1S/C13H18N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h3-6,10,14-15H,2,7-9H2,1H3/i9D
InChIKeyKBFBIAGUZWNRFI-QOWOAITPSA-N
XLogP2.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
3-heptyl-1H-indole
CID 15360907
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
CID 83960679
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901

Frequently Asked Questions

What is the IUPAC name of N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine (CID 169026501) is N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine is [2H]C(Cc1c[nH]c2ccccc12)NCCC.
What is the InChIKey of N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is KBFBIAGUZWNRFI-QOWOAITPSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h3-6,10,14-15H,2,7-9H2,1H3/i9D.
What are the key properties of N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine?
N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 203.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-deuterio-2-(1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 169026501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).