N-(3H-pyrrol-4-ylmethyl)propan-2-amine

C8H14N2 — CID 158053856

IUPACN-(3H-pyrrol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CN=CC1
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8-3-4-9-5-8/h4-5,7,10H,3,6H2,1-2H3
InChIKeyMMHXNLXAUWUNTL-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds3

About N-(3H-pyrrol-4-ylmethyl)propan-2-amine

N-(3H-pyrrol-4-ylmethyl)propan-2-amine (PubChem CID 158053856) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(3H-pyrrol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3H-pyrrol-4-ylmethyl)propan-2-amine
PubChem CID158053856
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(3H-pyrrol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CN=CC1
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8-3-4-9-5-8/h4-5,7,10H,3,6H2,1-2H3
InChIKeyMMHXNLXAUWUNTL-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(3H-pyrrol-4-ylmethyl)propan-2-amine (CID 158053856) is N-(3H-pyrrol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3H-pyrrol-4-ylmethyl)propan-2-amine is CC(C)NCC1=CN=CC1.
What is the InChIKey of N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
The InChIKey is MMHXNLXAUWUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)10-6-8-3-4-9-5-8/h4-5,7,10H,3,6H2,1-2H3.
What are the key properties of N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
N-(3H-pyrrol-4-ylmethyl)propan-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-pyrrol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 158053856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).