N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine

C10H20N2 — CID 117018180

IUPACN,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine
SMILESC=CCN1CC(NC)CC1(C)C
InChIInChI=1S/C10H20N2/c1-5-6-12-8-9(11-4)7-10(12,2)3/h5,9,11H,1,6-8H2,2-4H3
InChIKeyPYPQUFMEUOGDEM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds3

About N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine

N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine (PubChem CID 117018180) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine
PubChem CID117018180
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine
SMILESC=CCN1CC(NC)CC1(C)C
InChIInChI=1S/C10H20N2/c1-5-6-12-8-9(11-4)7-10(12,2)3/h5,9,11H,1,6-8H2,2-4H3
InChIKeyPYPQUFMEUOGDEM-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
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

1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018912
1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117021638
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
CID 117020528
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
CID 117020468
2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine
CID 19090272
1-(2,2-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117019836
1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021
1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine
CID 117018202
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425
1-ethenyl-N-methylazetidin-3-amine
CID 162763164
1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117018914
2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine
CID 176727262

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine?
The IUPAC name of N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine (CID 117018180) is N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine.
What is the SMILES notation for N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine?
The canonical SMILES for N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine is C=CCN1CC(NC)CC1(C)C.
What is the InChIKey of N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine?
The InChIKey is PYPQUFMEUOGDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-12-8-9(11-4)7-10(12,2)3/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine?
N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine is sourced from PubChem (CID 117018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).