N-(N'-butoxycarbamimidoyl)formamide

C6H13N3O2 — CID 135985100

IUPACN-(N'-butoxycarbamimidoyl)formamide
SMILESCCCCON=C(N)NC=O
InChIInChI=1S/C6H13N3O2/c1-2-3-4-11-9-6(7)8-5-10/h5H,2-4H2,1H3,(H3,7,8,9,10)
InChIKeyYADWOBLJQWNSEZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.22
Rot. Bonds5

About N-(N'-butoxycarbamimidoyl)formamide

N-(N'-butoxycarbamimidoyl)formamide (PubChem CID 135985100) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(N'-butoxycarbamimidoyl)formamide.

Molecular Properties

Compound NameN-(N'-butoxycarbamimidoyl)formamide
PubChem CID135985100
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-(N'-butoxycarbamimidoyl)formamide
SMILESCCCCON=C(N)NC=O
InChIInChI=1S/C6H13N3O2/c1-2-3-4-11-9-6(7)8-5-10/h5H,2-4H2,1H3,(H3,7,8,9,10)
InChIKeyYADWOBLJQWNSEZ-UHFFFAOYSA-N
XLogP-0.22
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(N'-ethylcarbamimidoyl)formamide
CID 71416538
2-decoxyguanidine
CID 154161085
2-dodecoxyguanidine
CID 158305776
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine
CID 174757879
N-(N'-propoxycarbamimidoyl)acetamide
CID 154044965
hexyl N-formylcarbamate
CID 175274354
N-formyloctadecanamide
CID 54418147
(1E)-N-hexoxy-2-oxoethanimidoyl cyanide
CID 173232648
3,4-dibutoxyhexa-2,4-diene
CID 141019728
2-(1-butoxyethyl)guanidine
CID 144608840
(2E)-2-butoxyiminoacetic acid
CID 88725483
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134

Frequently Asked Questions

What is the IUPAC name of N-(N'-butoxycarbamimidoyl)formamide?
The IUPAC name of N-(N'-butoxycarbamimidoyl)formamide (CID 135985100) is N-(N'-butoxycarbamimidoyl)formamide.
What is the SMILES notation for N-(N'-butoxycarbamimidoyl)formamide?
The canonical SMILES for N-(N'-butoxycarbamimidoyl)formamide is CCCCON=C(N)NC=O.
What is the InChIKey of N-(N'-butoxycarbamimidoyl)formamide?
The InChIKey is YADWOBLJQWNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-3-4-11-9-6(7)8-5-10/h5H,2-4H2,1H3,(H3,7,8,9,10).
What are the key properties of N-(N'-butoxycarbamimidoyl)formamide?
N-(N'-butoxycarbamimidoyl)formamide has a molecular weight of 159.19 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-butoxycarbamimidoyl)formamide is sourced from PubChem (CID 135985100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).