N-[(pentylamino)carbamoyl]formamide

C7H15N3O2 — CID 88628708

IUPACN-[(pentylamino)carbamoyl]formamide
SMILESCCCCCNNC(=O)NC=O
InChIInChI=1S/C7H15N3O2/c1-2-3-4-5-9-10-7(12)8-6-11/h6,9H,2-5H2,1H3,(H2,8,10,11,12)
InChIKeyNYOJFWYQBDCGQY-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.14
Rot. Bonds6

About N-[(pentylamino)carbamoyl]formamide

N-[(pentylamino)carbamoyl]formamide (PubChem CID 88628708) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-[(pentylamino)carbamoyl]formamide.

Molecular Properties

Compound NameN-[(pentylamino)carbamoyl]formamide
PubChem CID88628708
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN-[(pentylamino)carbamoyl]formamide
SMILESCCCCCNNC(=O)NC=O
InChIInChI=1S/C7H15N3O2/c1-2-3-4-5-9-10-7(12)8-6-11/h6,9H,2-5H2,1H3,(H2,8,10,11,12)
InChIKeyNYOJFWYQBDCGQY-UHFFFAOYSA-N
XLogP0.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(2-pentylhydrazinyl)acetamide
CID 174616394
methyl N-(hexylamino)carbamate
CID 141204686
N-formyloctadecanamide
CID 54418147
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
2-methoxy-N'-tetradecylacetohydrazide
CID 72545005
tert-butyl N-(octylamino)carbamate
CID 107237086
carbonic acid;N-hexylhexan-1-amine
CID 174995198
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
acetic acid;1-octadecyl-2-propylhydrazine
CID 22323613

Frequently Asked Questions

What is the IUPAC name of N-[(pentylamino)carbamoyl]formamide?
The IUPAC name of N-[(pentylamino)carbamoyl]formamide (CID 88628708) is N-[(pentylamino)carbamoyl]formamide.
What is the SMILES notation for N-[(pentylamino)carbamoyl]formamide?
The canonical SMILES for N-[(pentylamino)carbamoyl]formamide is CCCCCNNC(=O)NC=O.
What is the InChIKey of N-[(pentylamino)carbamoyl]formamide?
The InChIKey is NYOJFWYQBDCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-2-3-4-5-9-10-7(12)8-6-11/h6,9H,2-5H2,1H3,(H2,8,10,11,12).
What are the key properties of N-[(pentylamino)carbamoyl]formamide?
N-[(pentylamino)carbamoyl]formamide has a molecular weight of 173.22 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(pentylamino)carbamoyl]formamide is sourced from PubChem (CID 88628708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).