N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide

C9H18N2O — CID 64992591

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
SMILESCC(CNC=O)CN1CCCC1
InChIInChI=1S/C9H18N2O/c1-9(6-10-8-12)7-11-4-2-3-5-11/h8-9H,2-7H2,1H3,(H,10,12)
InChIKeyVULMDZOEJISIEE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide (PubChem CID 64992591) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
PubChem CID64992591
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
SMILESCC(CNC=O)CN1CCCC1
InChIInChI=1S/C9H18N2O/c1-9(6-10-8-12)7-11-4-2-3-5-11/h8-9H,2-7H2,1H3,(H,10,12)
InChIKeyVULMDZOEJISIEE-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
4-methyl-5-piperidin-1-ylpentanal
CID 142529558
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79278573
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79277951
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide (CID 64992591) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide is CC(CNC=O)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide?
The InChIKey is VULMDZOEJISIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(6-10-8-12)7-11-4-2-3-5-11/h8-9H,2-7H2,1H3,(H,10,12).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide is sourced from PubChem (CID 64992591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).