N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine

C10H18N2 — CID 68635944

IUPACN,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine
SMILESCC1=NC=C(CCCN(C)C)C1
InChIInChI=1S/C10H18N2/c1-9-7-10(8-11-9)5-4-6-12(2)3/h8H,4-7H2,1-3H3
InChIKeyNCCQNPSPGGHMKW-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds4

About N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine

N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine (PubChem CID 68635944) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine
PubChem CID68635944
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine
SMILESCC1=NC=C(CCCN(C)C)C1
InChIInChI=1S/C10H18N2/c1-9-7-10(8-11-9)5-4-6-12(2)3/h8H,4-7H2,1-3H3
InChIKeyNCCQNPSPGGHMKW-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine (CID 68635944) is N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine is CC1=NC=C(CCCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine?
The InChIKey is NCCQNPSPGGHMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-7-10(8-11-9)5-4-6-12(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine?
N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methyl-3H-pyrrol-4-yl)propan-1-amine is sourced from PubChem (CID 68635944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).