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

C7H16N2O — CID 170705034

IUPACN-[3-methyl-2-(methylamino)butyl]formamide
SMILESCNC(CNC=O)C(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)7(8-3)4-9-5-10/h5-8H,4H2,1-3H3,(H,9,10)
InChIKeyWTPMNZGZHMXWRQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.02
Rot. Bonds5

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

N-[3-methyl-2-(methylamino)butyl]formamide (PubChem CID 170705034) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[3-methyl-2-(methylamino)butyl]formamide.

Molecular Properties

Compound NameN-[3-methyl-2-(methylamino)butyl]formamide
PubChem CID170705034
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[3-methyl-2-(methylamino)butyl]formamide
SMILESCNC(CNC=O)C(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)7(8-3)4-9-5-10/h5-8H,4H2,1-3H3,(H,9,10)
InChIKeyWTPMNZGZHMXWRQ-UHFFFAOYSA-N
XLogP-0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.02
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-(propan-2-ylamino)butyl]formamide
CID 170704985
N-[3-methyl-2-(methylaminomethyl)butyl]formamide
CID 177136057
N-(2,3-dimethyl-4-oxobutyl)formamide
CID 174582773
N-[3-methyl-2-(propan-2-ylamino)butyl]formamide;2,2,3-trimethylbutane;yttrium
CID 176986658
2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine
CID 143685497
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane;N-[3-methyl-2-(propan-2-ylamino)butyl]formamide
CID 170704995
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
[3-methyl-2-(methylamino)butyl] carbamate
CID 174859482

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(methylamino)butyl]formamide?
The IUPAC name of N-[3-methyl-2-(methylamino)butyl]formamide (CID 170705034) is N-[3-methyl-2-(methylamino)butyl]formamide.
What is the SMILES notation for N-[3-methyl-2-(methylamino)butyl]formamide?
The canonical SMILES for N-[3-methyl-2-(methylamino)butyl]formamide is CNC(CNC=O)C(C)C.
What is the InChIKey of N-[3-methyl-2-(methylamino)butyl]formamide?
The InChIKey is WTPMNZGZHMXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)7(8-3)4-9-5-10/h5-8H,4H2,1-3H3,(H,9,10).
What are the key properties of N-[3-methyl-2-(methylamino)butyl]formamide?
N-[3-methyl-2-(methylamino)butyl]formamide has a molecular weight of 144.22 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(methylamino)butyl]formamide is sourced from PubChem (CID 170705034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).