N-butan-2-yl-2-propyl-1H-indol-5-amine

C15H22N2 — CID 170741598

IUPACN-butan-2-yl-2-propyl-1H-indol-5-amine
SMILESCCCc1cc2cc(NC(C)CC)ccc2[nH]1
InChIInChI=1S/C15H22N2/c1-4-6-13-9-12-10-14(16-11(3)5-2)7-8-15(12)17-13/h7-11,16-17H,4-6H2,1-3H3
InChIKeyMGYRACAMBUZRKH-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.33
Rot. Bonds5

About N-butan-2-yl-2-propyl-1H-indol-5-amine

N-butan-2-yl-2-propyl-1H-indol-5-amine (PubChem CID 170741598) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-butan-2-yl-2-propyl-1H-indol-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-propyl-1H-indol-5-amine
PubChem CID170741598
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-butan-2-yl-2-propyl-1H-indol-5-amine
SMILESCCCc1cc2cc(NC(C)CC)ccc2[nH]1
InChIInChI=1S/C15H22N2/c1-4-6-13-9-12-10-14(16-11(3)5-2)7-8-15(12)17-13/h7-11,16-17H,4-6H2,1-3H3
InChIKeyMGYRACAMBUZRKH-UHFFFAOYSA-N
XLogP4.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-propyl-1H-indol-5-amine?
The IUPAC name of N-butan-2-yl-2-propyl-1H-indol-5-amine (CID 170741598) is N-butan-2-yl-2-propyl-1H-indol-5-amine.
What is the SMILES notation for N-butan-2-yl-2-propyl-1H-indol-5-amine?
The canonical SMILES for N-butan-2-yl-2-propyl-1H-indol-5-amine is CCCc1cc2cc(NC(C)CC)ccc2[nH]1.
What is the InChIKey of N-butan-2-yl-2-propyl-1H-indol-5-amine?
The InChIKey is MGYRACAMBUZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-6-13-9-12-10-14(16-11(3)5-2)7-8-15(12)17-13/h7-11,16-17H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-2-propyl-1H-indol-5-amine?
N-butan-2-yl-2-propyl-1H-indol-5-amine has a molecular weight of 230.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-propyl-1H-indol-5-amine is sourced from PubChem (CID 170741598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).