N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine

C12H24N2 — CID 11367600

IUPACN,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCCN(CCCC)C1=NCCC1
InChIInChI=1S/C12H24N2/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-12/h3-11H2,1-2H3
InChIKeyPFYVMGSOLPHZHA-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.08
Rot. Bonds6

About N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine

N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 11367600) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID11367600
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCCN(CCCC)C1=NCCC1
InChIInChI=1S/C12H24N2/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-12/h3-11H2,1-2H3
InChIKeyPFYVMGSOLPHZHA-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine (CID 11367600) is N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine is CCCCN(CCCC)C1=NCCC1.
What is the InChIKey of N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is PFYVMGSOLPHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-12/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine?
N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 196.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 11367600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).