N-methanidyl-N,1-dimethylpyrrolidin-3-amine

C7H15N2- — CID 21039801

IUPACN-methanidyl-N,1-dimethylpyrrolidin-3-amine
SMILES[CH2-]N(C)C1CCN(C)C1
InChIInChI=1S/C7H15N2/c1-8(2)7-4-5-9(3)6-7/h7H,1,4-6H2,2-3H3/q-1
InChIKeyAAJKTLQQJFLNNT-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.41
Rot. Bonds1

About N-methanidyl-N,1-dimethylpyrrolidin-3-amine

N-methanidyl-N,1-dimethylpyrrolidin-3-amine (PubChem CID 21039801) has the molecular formula C7H15N2- and a molecular weight of 127.21 g/mol. Its IUPAC name is N-methanidyl-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methanidyl-N,1-dimethylpyrrolidin-3-amine
PubChem CID21039801
Molecular FormulaC7H15N2-
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC NameN-methanidyl-N,1-dimethylpyrrolidin-3-amine
SMILES[CH2-]N(C)C1CCN(C)C1
InChIInChI=1S/C7H15N2/c1-8(2)7-4-5-9(3)6-7/h7H,1,4-6H2,2-3H3/q-1
InChIKeyAAJKTLQQJFLNNT-UHFFFAOYSA-N
XLogP0.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
(3R)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 129222465
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)formamide
CID 143070615
3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
CID 130598367
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 83844779
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-iodo-N,1-dimethylpiperidin-4-amine
CID 134413074
3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
CID 115134039

Frequently Asked Questions

What is the IUPAC name of N-methanidyl-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of N-methanidyl-N,1-dimethylpyrrolidin-3-amine (CID 21039801) is N-methanidyl-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-methanidyl-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-methanidyl-N,1-dimethylpyrrolidin-3-amine is [CH2-]N(C)C1CCN(C)C1.
What is the InChIKey of N-methanidyl-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is AAJKTLQQJFLNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-8(2)7-4-5-9(3)6-7/h7H,1,4-6H2,2-3H3/q-1.
What are the key properties of N-methanidyl-N,1-dimethylpyrrolidin-3-amine?
N-methanidyl-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 127.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 21039801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).