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

C9H18N2 — CID 58035202

IUPACN-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
SMILESC=C(CC1CCCN1C)NC
InChIInChI=1S/C9H18N2/c1-8(10-2)7-9-5-4-6-11(9)3/h9-10H,1,4-7H2,2-3H3
InChIKeyWLHVRSSNIFDABB-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds3

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

N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine (PubChem CID 58035202) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
PubChem CID58035202
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
SMILESC=C(CC1CCCN1C)NC
InChIInChI=1S/C9H18N2/c1-8(10-2)7-9-5-4-6-11(9)3/h9-10H,1,4-7H2,2-3H3
InChIKeyWLHVRSSNIFDABB-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
The IUPAC name of N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine (CID 58035202) is N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine is C=C(CC1CCCN1C)NC.
What is the InChIKey of N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
The InChIKey is WLHVRSSNIFDABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(10-2)7-9-5-4-6-11(9)3/h9-10H,1,4-7H2,2-3H3.
What are the key properties of N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine?
N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 58035202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).