2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine

C15H32N4O — CID 109381822

IUPAC2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCNC(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C15H32N4O/c1-6-16-14(17-8-9-18-15(2,3)4)19(5)11-13-7-10-20-12-13/h13,18H,6-12H2,1-5H3,(H,16,17)
InChIKeyNKZAYOKADFYGEL-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine

2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109381822) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109381822
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCNC(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C15H32N4O/c1-6-16-14(17-8-9-18-15(2,3)4)19(5)11-13-7-10-20-12-13/h13,18H,6-12H2,1-5H3,(H,16,17)
InChIKeyNKZAYOKADFYGEL-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 109381822) is 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CCNC(C)(C)C)N(C)CC1CCOC1.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is NKZAYOKADFYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-6-16-14(17-8-9-18-15(2,3)4)19(5)11-13-7-10-20-12-13/h13,18H,6-12H2,1-5H3,(H,16,17).
What are the key properties of 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 284.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109381822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).