N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane

C16H26N2O — CID 142016976

IUPACN-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane
SMILESCCC.CN1CCC(N(C=O)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O.C3H8/c1-14-8-7-13(10-14)15(11-16)9-12-5-3-2-4-6-12;1-3-2/h2-6,11,13H,7-10H2,1H3;3H2,1-2H3
InChIKeyIKZUXZARYUBCKV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds4

About N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane

N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane (PubChem CID 142016976) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane.

Molecular Properties

Compound NameN-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane
PubChem CID142016976
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane
SMILESCCC.CN1CCC(N(C=O)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O.C3H8/c1-14-8-7-13(10-14)15(11-16)9-12-5-3-2-4-6-12;1-3-2/h2-6,11,13H,7-10H2,1H3;3H2,1-2H3
InChIKeyIKZUXZARYUBCKV-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 107365088
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
3-[[benzyl(propan-2-yl)amino]methyl]-1-methylpiperidin-4-amine
CID 82171540
3-benzyl-1,4-dimethylpiperidine
CID 68972702
N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 50968510
N-benzyl-N-(cyclopropylmethyl)formamide
CID 174364341
2-(3-benzyl-1-methylpiperidin-4-yl)acetic acid
CID 21426503
4-benzyl-1-methylpiperidine;ethane
CID 142009767
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)formamide
CID 143070615

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane?
The IUPAC name of N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane (CID 142016976) is N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane.
What is the SMILES notation for N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane?
The canonical SMILES for N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane is CCC.CN1CCC(N(C=O)Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane?
The InChIKey is IKZUXZARYUBCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C3H8/c1-14-8-7-13(10-14)15(11-16)9-12-5-3-2-4-6-12;1-3-2/h2-6,11,13H,7-10H2,1H3;3H2,1-2H3.
What are the key properties of N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane?
N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane has a molecular weight of 262.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-methylpyrrolidin-3-yl)formamide;propane is sourced from PubChem (CID 142016976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).