N-[3-methyl-2-(propan-2-ylamino)butyl]formamide

C9H20N2O — CID 170704985

IUPACN-[3-methyl-2-(propan-2-ylamino)butyl]formamide
SMILESCC(C)NC(CNC=O)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)9(5-10-6-12)11-8(3)4/h6-9,11H,5H2,1-4H3,(H,10,12)
InChIKeyCQEQTUZMWSLZNW-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.75
Rot. Bonds6

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

N-[3-methyl-2-(propan-2-ylamino)butyl]formamide (PubChem CID 170704985) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[3-methyl-2-(propan-2-ylamino)butyl]formamide.

Molecular Properties

Compound NameN-[3-methyl-2-(propan-2-ylamino)butyl]formamide
PubChem CID170704985
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[3-methyl-2-(propan-2-ylamino)butyl]formamide
SMILESCC(C)NC(CNC=O)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)9(5-10-6-12)11-8(3)4/h6-9,11H,5H2,1-4H3,(H,10,12)
InChIKeyCQEQTUZMWSLZNW-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.75
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;2,2,3-trimethylbutane;yttrium
CID 176986658
N-[3-methyl-2-(methylamino)butyl]formamide
CID 170705034
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-(2,3-dimethyl-4-oxobutyl)formamide
CID 174582773
N-[3-methyl-2-(methylaminomethyl)butyl]formamide
CID 177136057
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
CID 101182979
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(propan-2-ylamino)butyl]formamide?
The IUPAC name of N-[3-methyl-2-(propan-2-ylamino)butyl]formamide (CID 170704985) is N-[3-methyl-2-(propan-2-ylamino)butyl]formamide.
What is the SMILES notation for N-[3-methyl-2-(propan-2-ylamino)butyl]formamide?
The canonical SMILES for N-[3-methyl-2-(propan-2-ylamino)butyl]formamide is CC(C)NC(CNC=O)C(C)C.
What is the InChIKey of N-[3-methyl-2-(propan-2-ylamino)butyl]formamide?
The InChIKey is CQEQTUZMWSLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(5-10-6-12)11-8(3)4/h6-9,11H,5H2,1-4H3,(H,10,12).
What are the key properties of N-[3-methyl-2-(propan-2-ylamino)butyl]formamide?
N-[3-methyl-2-(propan-2-ylamino)butyl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.75, 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-(propan-2-ylamino)butyl]formamide is sourced from PubChem (CID 170704985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).