formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine

C12H28N2O — CID 177055171

IUPACformaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine
SMILESC=O.CCCNC.CN1CCC(C)(C)C1
InChIInChI=1S/C7H15N.C4H11N.CH2O/c1-7(2)4-5-8(3)6-7;1-3-4-5-2;1-2/h4-6H2,1-3H3;5H,3-4H2,1-2H3;1H2
InChIKeyNEHNMPVZRMGAST-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.78
Rot. Bonds2

About formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine

formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine (PubChem CID 177055171) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine.

Molecular Properties

Compound Nameformaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine
PubChem CID177055171
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameformaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine
SMILESC=O.CCCNC.CN1CCC(C)(C)C1
InChIInChI=1S/C7H15N.C4H11N.CH2O/c1-7(2)4-5-8(3)6-7;1-3-4-5-2;1-2/h4-6H2,1-3H3;5H,3-4H2,1-2H3;1H2
InChIKeyNEHNMPVZRMGAST-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1,3,3-trimethylpyrrolidine
CID 158632756
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
methoxymethane;1,3,3-trimethylpyrrolidine
CID 166534043
2-(1,3-dimethylpyrrolidin-3-yl)-N-methylethanamine
CID 144987620
3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
CID 115661017
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285
1,3,3-trimethylazepane
CID 18711354
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806409
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088420

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine?
The IUPAC name of formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine (CID 177055171) is formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine.
What is the SMILES notation for formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine?
The canonical SMILES for formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine is C=O.CCCNC.CN1CCC(C)(C)C1.
What is the InChIKey of formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine?
The InChIKey is NEHNMPVZRMGAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H11N.CH2O/c1-7(2)4-5-8(3)6-7;1-3-4-5-2;1-2/h4-6H2,1-3H3;5H,3-4H2,1-2H3;1H2.
What are the key properties of formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine?
formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine has a molecular weight of 216.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-methylpropan-1-amine;1,3,3-trimethylpyrrolidine is sourced from PubChem (CID 177055171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).