N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide

C10H21N3 — CID 63275058

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
SMILES[H]/N=C(\CC)N(C)CC1CCN(C)C1
InChIInChI=1S/C10H21N3/c1-4-10(11)13(3)8-9-5-6-12(2)7-9/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyUPKHDYSZWUKGJL-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide (PubChem CID 63275058) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
PubChem CID63275058
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
SMILES[H]/N=C(\CC)N(C)CC1CCN(C)C1
InChIInChI=1S/C10H21N3/c1-4-10(11)13(3)8-9-5-6-12(2)7-9/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyUPKHDYSZWUKGJL-ZHACJKMWSA-N
XLogP1.26
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide
CID 63178577
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
CID 63276055
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 76993513
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide (CID 63275058) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide is [H]/N=C(\CC)N(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
The InChIKey is UPKHDYSZWUKGJL-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-10(11)13(3)8-9-5-6-12(2)7-9/h9,11H,4-8H2,1-3H3/b11-10+.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide is sourced from PubChem (CID 63275058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).