N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine

C17H26N2O — CID 25193914

IUPACN-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
SMILES[2H]C([2H])(c1c[nH]c2ccc(OC)cc12)C([2H])([2H])N(CCC)CCC
InChIInChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3/i8D2,11D2
InChIKeyPNHPVNBKLQWBKH-ZUPNMEAQSA-N
MW278.43 g/mol
LogP3.84
Rot. Bonds8

About N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine

N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 25193914) has the molecular formula C17H26N2O and a molecular weight of 278.43 g/mol. Its IUPAC name is N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID25193914
Molecular FormulaC17H26N2O
Molecular Weight278.43 g/mol
Exact Mass278.23
IUPAC NameN-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
SMILES[2H]C([2H])(c1c[nH]c2ccc(OC)cc12)C([2H])([2H])N(CCC)CCC
InChIInChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3/i8D2,11D2
InChIKeyPNHPVNBKLQWBKH-ZUPNMEAQSA-N
XLogP3.84
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine (CID 25193914) is N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine is [2H]C([2H])(c1c[nH]c2ccc(OC)cc12)C([2H])([2H])N(CCC)CCC.
What is the InChIKey of N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is PNHPVNBKLQWBKH-ZUPNMEAQSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3/i8D2,11D2.
What are the key properties of N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 278.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 25193914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).