N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine

C11H18N2 — CID 130918644

IUPACN-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine
SMILESCC(C)NC1CCCc2[nH]ccc21
InChIInChI=1S/C11H18N2/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10/h6-8,11-13H,3-5H2,1-2H3
InChIKeyMSZOZAMPJBUPQK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.39
Rot. Bonds2

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

N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine (PubChem CID 130918644) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine
PubChem CID130918644
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine
SMILESCC(C)NC1CCCc2[nH]ccc21
InChIInChI=1S/C11H18N2/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10/h6-8,11-13H,3-5H2,1-2H3
InChIKeyMSZOZAMPJBUPQK-UHFFFAOYSA-N
XLogP2.39
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine?
The IUPAC name of N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine (CID 130918644) is N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine.
What is the SMILES notation for N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine?
The canonical SMILES for N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine is CC(C)NC1CCCc2[nH]ccc21.
What is the InChIKey of N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine?
The InChIKey is MSZOZAMPJBUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10/h6-8,11-13H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine?
N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine has a molecular weight of 178.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine is sourced from PubChem (CID 130918644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).