2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine

C9H19N5O — CID 176546751

IUPAC2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
SMILES[H]/N=C(N)/N=C(\N)N(CC)CC1CCCO1
InChIInChI=1S/C9H19N5O/c1-2-14(9(12)13-8(10)11)6-7-4-3-5-15-7/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyVZOCSZIVLZGBGO-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.30
Rot. Bonds3

About 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine

2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 176546751) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
PubChem CID176546751
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
SMILES[H]/N=C(N)/N=C(\N)N(CC)CC1CCCO1
InChIInChI=1S/C9H19N5O/c1-2-14(9(12)13-8(10)11)6-7-4-3-5-15-7/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyVZOCSZIVLZGBGO-UHFFFAOYSA-N
XLogP-0.30
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
1,1-diethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111035992
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine (CID 176546751) is 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine is [H]/N=C(N)/N=C(\N)N(CC)CC1CCCO1.
What is the InChIKey of 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is VZOCSZIVLZGBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-2-14(9(12)13-8(10)11)6-7-4-3-5-15-7/h7H,2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 213.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 176546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).