N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine

C9H18N2 — CID 103068801

IUPACN-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CN1CCCC1
InChIInChI=1S/C9H18N2/c1-9(7-10-2)8-11-5-3-4-6-11/h10H,1,3-8H2,2H3
InChIKeyYSEJKZYFJFNIGS-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds4

About N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine

N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine (PubChem CID 103068801) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
PubChem CID103068801
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CN1CCCC1
InChIInChI=1S/C9H18N2/c1-9(7-10-2)8-11-5-3-4-6-11/h10H,1,3-8H2,2H3
InChIKeyYSEJKZYFJFNIGS-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042
[2,2-Difluoro-3-(3-methylidenepyrrolidin-1-yl)propyl](methyl)amine
CID 165466746
Trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride
CID 14877280
Trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium
CID 14877281
N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine
CID 18466420
1-(2-Methylprop-2-enyl)pyrrolidin-1-ium
CID 51669718
2-(Pyrrolidin-1-ylmethyl)prop-2-en-1-amine
CID 67878151
N-propyl-5-(pyrrolidin-1-ylmethyl)hepta-3,4-dien-1-amine
CID 134592709
N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene
CID 144503585
Butane;3,4-dimethylidenepyrrolidine
CID 144600231
Trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium bromide
CID 156562599
Trimethyl-[4-(2-methylprop-2-enylamino)butyl]azanium bromide
CID 156562611

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine (CID 103068801) is N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine is C=C(CNC)CN1CCCC1.
What is the InChIKey of N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is YSEJKZYFJFNIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(7-10-2)8-11-5-3-4-6-11/h10H,1,3-8H2,2H3.
What are the key properties of N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine?
N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).