N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine

C9H18N2 — CID 58493123

IUPACN,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine
SMILESC=C(CC1CCNC1)N(C)C
InChIInChI=1S/C9H18N2/c1-8(11(2)3)6-9-4-5-10-7-9/h9-10H,1,4-7H2,2-3H3
InChIKeyVPJYMGSMWSETJB-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.06
Rot. Bonds3

About N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine

N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine (PubChem CID 58493123) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine
PubChem CID58493123
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine
SMILESC=C(CC1CCNC1)N(C)C
InChIInChI=1S/C9H18N2/c1-8(11(2)3)6-9-4-5-10-7-9/h9-10H,1,4-7H2,2-3H3
InChIKeyVPJYMGSMWSETJB-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-(methylene)pyrrolidine
CID 70311405
3-Ethyl-4-fluoro-2-methyl-5-methylidenepyrrolidine
CID 139386567
N-[(1-methylpyrrolidin-3-yl)methyl]prop-1-en-2-amine
CID 57779978
N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
CID 58035202
N-methyl-1-(1-methylpyrrolidin-3-yl)ethenamine
CID 58035271
CID 58052012
CID 58052012
N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine
CID 58440442
N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine
CID 58450026
1-(1-Tert-butylpyrrolidin-3-yl)ethenamine
CID 58465167
N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine
CID 58493117
N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)prop-1-en-2-amine
CID 58493121
1-Methylidene-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 58546878

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine?
The IUPAC name of N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine (CID 58493123) is N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine is C=C(CC1CCNC1)N(C)C.
What is the InChIKey of N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine?
The InChIKey is VPJYMGSMWSETJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(11(2)3)6-9-4-5-10-7-9/h9-10H,1,4-7H2,2-3H3.
What are the key properties of N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine?
N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine is sourced from PubChem (CID 58493123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).