N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

C14H28IN3 — CID 109453863

IUPACN-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1CC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H27N3.HI/c1-13(2)10-17(14(13,3)4)12(15-5)16-9-8-11-6-7-11;/h11H,6-10H2,1-5H3,(H,15,16);1H
InChIKeyGYHLAALBEIUOSG-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.10
Rot. Bonds3

About N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109453863) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109453863
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC NameN-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1CC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H27N3.HI/c1-13(2)10-17(14(13,3)4)12(15-5)16-9-8-11-6-7-11;/h11H,6-10H2,1-5H3,(H,15,16);1H
InChIKeyGYHLAALBEIUOSG-UHFFFAOYSA-N
XLogP3.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452148
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
tert-butyl N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 109453890
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
N',2,2,3,3-pentamethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453575
1-[4-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109453959
N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453954
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453357
N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453668
N-[2-(3,5-difluorophenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453949
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453638

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (CID 109453863) is N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC1CC1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is GYHLAALBEIUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-13(2)10-17(14(13,3)4)12(15-5)16-9-8-11-6-7-11;/h11H,6-10H2,1-5H3,(H,15,16);1H.
What are the key properties of N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).