N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide

C13H26N2O — CID 170740078

IUPACN-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide
SMILESCCCC1(CN(C)C=O)CCN(C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-5-6-13(9-14(4)11-16)7-8-15(10-13)12(2)3/h11-12H,5-10H2,1-4H3
InChIKeyCWWSHHWUQIQCCD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide

N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide (PubChem CID 170740078) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide
PubChem CID170740078
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide
SMILESCCCC1(CN(C)C=O)CCN(C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-5-6-13(9-14(4)11-16)7-8-15(10-13)12(2)3/h11-12H,5-10H2,1-4H3
InChIKeyCWWSHHWUQIQCCD-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
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

3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
CID 174258805
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
N,N-diethylformamide;1-propan-2-ylazetidine
CID 142366047
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine
CID 170740010
[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 167340283
N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine
CID 168941075
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 174291983
formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane
CID 169177422
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174275793
4-(3,3-dipropylazetidin-1-yl)pentanoic acid
CID 79695411
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide?
The IUPAC name of N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide (CID 170740078) is N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide.
What is the SMILES notation for N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide?
The canonical SMILES for N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide is CCCC1(CN(C)C=O)CCN(C(C)C)C1.
What is the InChIKey of N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide?
The InChIKey is CWWSHHWUQIQCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-13(9-14(4)11-16)7-8-15(10-13)12(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide?
N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide has a molecular weight of 226.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide is sourced from PubChem (CID 170740078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).