N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide

C17H24N2 — CID 171623104

IUPACN-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide
SMILES[H]/N=C(\N(C)CC)C1(c2cccc(C)c2)CC2(CC2)C1
InChIInChI=1S/C17H24N2/c1-4-19(3)15(18)17(11-16(12-17)8-9-16)14-7-5-6-13(2)10-14/h5-7,10,18H,4,8-9,11-12H2,1-3H3/b18-15-
InChIKeyCNOJVXYUGRSINF-SDXDJHTJSA-N
MW256.39 g/mol
LogP3.74
Rot. Bonds3

About N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide

N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide (PubChem CID 171623104) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide
PubChem CID171623104
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide
SMILES[H]/N=C(\N(C)CC)C1(c2cccc(C)c2)CC2(CC2)C1
InChIInChI=1S/C17H24N2/c1-4-19(3)15(18)17(11-16(12-17)8-9-16)14-7-5-6-13(2)10-14/h5-7,10,18H,4,8-9,11-12H2,1-3H3/b18-15-
InChIKeyCNOJVXYUGRSINF-SDXDJHTJSA-N
XLogP3.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.74
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'}

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Related Compounds

N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
1-[1-(3-methylphenyl)cyclopropyl]butan-1-one
CID 142382203
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
5-[3-(4-chloro-2-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)phenyl]-N-ethenyl-N-methylspiro[2.3]hexane-5-carboximidamide
CID 171623270
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
5-[3-[2-(aminomethyl)-4-chloro-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]phenyl]-N-ethenyl-N-methylspiro[2.3]hexane-5-carboximidamide;methane
CID 171623093
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
ethyl 3-(3-methylphenyl)azetidine-3-carboxylate
CID 170322404
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide?
The IUPAC name of N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide (CID 171623104) is N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide.
What is the SMILES notation for N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide?
The canonical SMILES for N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide is [H]/N=C(\N(C)CC)C1(c2cccc(C)c2)CC2(CC2)C1.
What is the InChIKey of N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide?
The InChIKey is CNOJVXYUGRSINF-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-19(3)15(18)17(11-16(12-17)8-9-16)14-7-5-6-13(2)10-14/h5-7,10,18H,4,8-9,11-12H2,1-3H3/b18-15-.
What are the key properties of N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide?
N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide has a molecular weight of 256.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide is sourced from PubChem (CID 171623104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).