N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine

C9H18N2 — CID 115300548

IUPACN-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
SMILESC=C(C)CN1CCC(NC)C1
InChIInChI=1S/C9H18N2/c1-8(2)6-11-5-4-9(7-11)10-3/h9-10H,1,4-7H2,2-3H3
InChIKeyQQCANSJBIGPUAI-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine

N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine (PubChem CID 115300548) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
PubChem CID115300548
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
SMILESC=C(C)CN1CCC(NC)C1
InChIInChI=1S/C9H18N2/c1-8(2)6-11-5-4-9(7-11)10-3/h9-10H,1,4-7H2,2-3H3
InChIKeyQQCANSJBIGPUAI-UHFFFAOYSA-N
XLogP0.86
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 ≤ 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-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine
CID 115300685
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-(cyclopropylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 78946388
N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717921
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
1-(2-methylprop-2-enyl)-N-(thiolan-3-yl)piperidin-4-amine
CID 115717918
N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine
CID 97028838
3-cyclohexyloxy-1-(2-methylprop-2-enyl)pyrrolidine
CID 145355701

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine (CID 115300548) is N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine is C=C(C)CN1CCC(NC)C1.
What is the InChIKey of N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine?
The InChIKey is QQCANSJBIGPUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)6-11-5-4-9(7-11)10-3/h9-10H,1,4-7H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine?
N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine is sourced from PubChem (CID 115300548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).