N-[3-methyl-2-(methylaminomethyl)butyl]formamide

C8H18N2O — CID 177136057

IUPACN-[3-methyl-2-(methylaminomethyl)butyl]formamide
SMILESCNCC(CNC=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)8(4-9-3)5-10-6-11/h6-9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVNNDMVJRTMVWJX-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.22
Rot. Bonds6

About N-[3-methyl-2-(methylaminomethyl)butyl]formamide

N-[3-methyl-2-(methylaminomethyl)butyl]formamide (PubChem CID 177136057) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[3-methyl-2-(methylaminomethyl)butyl]formamide.

Molecular Properties

Compound NameN-[3-methyl-2-(methylaminomethyl)butyl]formamide
PubChem CID177136057
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[3-methyl-2-(methylaminomethyl)butyl]formamide
SMILESCNCC(CNC=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)8(4-9-3)5-10-6-11/h6-9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVNNDMVJRTMVWJX-UHFFFAOYSA-N
XLogP0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-2-(methylamino)butyl]formamide
CID 170705034
N-(2,3-dimethyl-4-oxobutyl)formamide
CID 174582773
N-[3-methyl-2-(propan-2-ylamino)butyl]formamide
CID 170704985
N-(methylaminomethyl)formamide
CID 20608441
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
CID 134163261
N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844480
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(methylaminomethyl)butyl]formamide?
The IUPAC name of N-[3-methyl-2-(methylaminomethyl)butyl]formamide (CID 177136057) is N-[3-methyl-2-(methylaminomethyl)butyl]formamide.
What is the SMILES notation for N-[3-methyl-2-(methylaminomethyl)butyl]formamide?
The canonical SMILES for N-[3-methyl-2-(methylaminomethyl)butyl]formamide is CNCC(CNC=O)C(C)C.
What is the InChIKey of N-[3-methyl-2-(methylaminomethyl)butyl]formamide?
The InChIKey is VNNDMVJRTMVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)8(4-9-3)5-10-6-11/h6-9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-[3-methyl-2-(methylaminomethyl)butyl]formamide?
N-[3-methyl-2-(methylaminomethyl)butyl]formamide has a molecular weight of 158.25 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(methylaminomethyl)butyl]formamide is sourced from PubChem (CID 177136057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).