(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine

C14H24N2 — CID 11148735

IUPAC(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine
SMILESCC(C)N(C(C)C)[C@H]1CCc2[nH]ccc2C1
InChIInChI=1S/C14H24N2/c1-10(2)16(11(3)4)13-5-6-14-12(9-13)7-8-15-14/h7-8,10-11,13,15H,5-6,9H2,1-4H3/t13-/m0/s1
InChIKeyAONIKPLIZCZTOZ-ZDUSSCGKSA-N
MW220.36 g/mol
LogP2.99
Rot. Bonds3

About (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine

(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine (PubChem CID 11148735) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine.

Molecular Properties

Compound Name(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine
PubChem CID11148735
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine
SMILESCC(C)N(C(C)C)[C@H]1CCc2[nH]ccc2C1
InChIInChI=1S/C14H24N2/c1-10(2)16(11(3)4)13-5-6-14-12(9-13)7-8-15-14/h7-8,10-11,13,15H,5-6,9H2,1-4H3/t13-/m0/s1
InChIKeyAONIKPLIZCZTOZ-ZDUSSCGKSA-N
XLogP2.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine?
The IUPAC name of (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine (CID 11148735) is (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine.
What is the SMILES notation for (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine?
The canonical SMILES for (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine is CC(C)N(C(C)C)[C@H]1CCc2[nH]ccc2C1.
What is the InChIKey of (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine?
The InChIKey is AONIKPLIZCZTOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)16(11(3)4)13-5-6-14-12(9-13)7-8-15-14/h7-8,10-11,13,15H,5-6,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine?
(5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine has a molecular weight of 220.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-1H-indol-5-amine is sourced from PubChem (CID 11148735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).