N-[1-(methylamino)pentan-3-yl]formamide

C7H16N2O — CID 143111562

IUPACN-[1-(methylamino)pentan-3-yl]formamide
SMILESCCC(CCNC)NC=O
InChIInChI=1S/C7H16N2O/c1-3-7(9-6-10)4-5-8-2/h6-8H,3-5H2,1-2H3,(H,9,10)
InChIKeyCUUFTXFOOMQDDT-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.12
Rot. Bonds6

About N-[1-(methylamino)pentan-3-yl]formamide

N-[1-(methylamino)pentan-3-yl]formamide (PubChem CID 143111562) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[1-(methylamino)pentan-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(methylamino)pentan-3-yl]formamide
PubChem CID143111562
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[1-(methylamino)pentan-3-yl]formamide
SMILESCCC(CCNC)NC=O
InChIInChI=1S/C7H16N2O/c1-3-7(9-6-10)4-5-8-2/h6-8H,3-5H2,1-2H3,(H,9,10)
InChIKeyCUUFTXFOOMQDDT-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.12
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-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
N-[(2R)-1-hydroxybutan-2-yl]formamide
CID 55286549
N-heptan-4-ylformamide
CID 14473374
3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
CID 118478770
N-octan-4-ylformamide
CID 22178839
N-nonan-4-ylformamide
CID 144801924
N-(2-formamidopentyl)formamide
CID 174514121
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
N-[1-(methylamino)propyl]formamide
CID 87799267
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
N-(3-ethylhexan-2-yl)formamide
CID 154666034

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)pentan-3-yl]formamide?
The IUPAC name of N-[1-(methylamino)pentan-3-yl]formamide (CID 143111562) is N-[1-(methylamino)pentan-3-yl]formamide.
What is the SMILES notation for N-[1-(methylamino)pentan-3-yl]formamide?
The canonical SMILES for N-[1-(methylamino)pentan-3-yl]formamide is CCC(CCNC)NC=O.
What is the InChIKey of N-[1-(methylamino)pentan-3-yl]formamide?
The InChIKey is CUUFTXFOOMQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-7(9-6-10)4-5-8-2/h6-8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-[1-(methylamino)pentan-3-yl]formamide?
N-[1-(methylamino)pentan-3-yl]formamide has a molecular weight of 144.22 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)pentan-3-yl]formamide is sourced from PubChem (CID 143111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).