N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine

C10H20N2 — CID 115300685

IUPACN-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine
SMILESC=C(CC)CN1CCC(NC)C1
InChIInChI=1S/C10H20N2/c1-4-9(2)7-12-6-5-10(8-12)11-3/h10-11H,2,4-8H2,1,3H3
InChIKeyNTDIQEOFCNJPTC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine

N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine (PubChem CID 115300685) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine
PubChem CID115300685
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine
SMILESC=C(CC)CN1CCC(NC)C1
InChIInChI=1S/C10H20N2/c1-4-9(2)7-12-6-5-10(8-12)11-3/h10-11H,2,4-8H2,1,3H3
InChIKeyNTDIQEOFCNJPTC-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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-methylprop-2-enyl)pyrrolidin-3-amine
CID 115300548
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
3-ethyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 114511194
1-[3-(methylamino)pyrrolidin-1-yl]butan-2-ol
CID 115300562
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
CID 104977151
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
1-(2-methylidenebutyl)-1,4-diazepan-6-ol
CID 130542357
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine (CID 115300685) is N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine is C=C(CC)CN1CCC(NC)C1.
What is the InChIKey of N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine?
The InChIKey is NTDIQEOFCNJPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-9(2)7-12-6-5-10(8-12)11-3/h10-11H,2,4-8H2,1,3H3.
What are the key properties of N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine?
N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylidenebutyl)pyrrolidin-3-amine is sourced from PubChem (CID 115300685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).