N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide

C13H20N2O — CID 169111449

IUPACN-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide
SMILESCc1cccnc1CN(C=O)C(C)C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)12(4)15(9-16)8-13-11(3)6-5-7-14-13/h5-7,9-10,12H,8H2,1-4H3
InChIKeySODSFTULNNBWCM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.39
Rot. Bonds5

About N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide

N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide (PubChem CID 169111449) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide
PubChem CID169111449
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide
SMILESCc1cccnc1CN(C=O)C(C)C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)12(4)15(9-16)8-13-11(3)6-5-7-14-13/h5-7,9-10,12H,8H2,1-4H3
InChIKeySODSFTULNNBWCM-UHFFFAOYSA-N
XLogP2.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.39
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,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 106915863
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
3-methyl-2-prop-2-enylpyridine
CID 18185591
3-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]propanethioamide
CID 112650348
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide?
The IUPAC name of N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide (CID 169111449) is N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide is Cc1cccnc1CN(C=O)C(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide?
The InChIKey is SODSFTULNNBWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12(4)15(9-16)8-13-11(3)6-5-7-14-13/h5-7,9-10,12H,8H2,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide?
N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide has a molecular weight of 220.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 169111449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).