N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine

C10H20N2 — CID 58035204

IUPACN,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
SMILESC=C(CC1CCCN1C)N(C)C
InChIInChI=1S/C10H20N2/c1-9(11(2)3)8-10-6-5-7-12(10)4/h10H,1,5-8H2,2-4H3
InChIKeyWNUNJAAAQJDHER-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.55
Rot. Bonds3

About N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine

N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine (PubChem CID 58035204) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
PubChem CID58035204
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
SMILESC=C(CC1CCCN1C)N(C)C
InChIInChI=1S/C10H20N2/c1-9(11(2)3)8-10-6-5-7-12(10)4/h10H,1,5-8H2,2-4H3
InChIKeyWNUNJAAAQJDHER-UHFFFAOYSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.55
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-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
The IUPAC name of N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine (CID 58035204) is N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine is C=C(CC1CCCN1C)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
The InChIKey is WNUNJAAAQJDHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(11(2)3)8-10-6-5-7-12(10)4/h10H,1,5-8H2,2-4H3.
What are the key properties of N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 58035204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).