N-(1-aminopropyl)formamide

C4H10N2O — CID 21390634

IUPACN-(1-aminopropyl)formamide
SMILESCCC(N)NC=O
InChIInChI=1S/C4H10N2O/c1-2-4(5)6-3-7/h3-4H,2,5H2,1H3,(H,6,7)
InChIKeyLWXKRRCJOSFGIN-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.57
Rot. Bonds3

About N-(1-aminopropyl)formamide

N-(1-aminopropyl)formamide (PubChem CID 21390634) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N-(1-aminopropyl)formamide.

Molecular Properties

Compound NameN-(1-aminopropyl)formamide
PubChem CID21390634
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN-(1-aminopropyl)formamide
SMILESCCC(N)NC=O
InChIInChI=1S/C4H10N2O/c1-2-4(5)6-3-7/h3-4H,2,5H2,1H3,(H,6,7)
InChIKeyLWXKRRCJOSFGIN-UHFFFAOYSA-N
XLogP-0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropyl)formamide?
The IUPAC name of N-(1-aminopropyl)formamide (CID 21390634) is N-(1-aminopropyl)formamide.
What is the SMILES notation for N-(1-aminopropyl)formamide?
The canonical SMILES for N-(1-aminopropyl)formamide is CCC(N)NC=O.
What is the InChIKey of N-(1-aminopropyl)formamide?
The InChIKey is LWXKRRCJOSFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-2-4(5)6-3-7/h3-4H,2,5H2,1H3,(H,6,7).
What are the key properties of N-(1-aminopropyl)formamide?
N-(1-aminopropyl)formamide has a molecular weight of 102.14 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropyl)formamide is sourced from PubChem (CID 21390634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).