6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide

C14H29N3O — CID 106712150

IUPAC6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCC(COC)C1
InChIInChI=1S/C14H29N3O/c1-14(2,13(15)16)7-4-5-8-17-9-6-12(10-17)11-18-3/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyZGJDQHBRPAUNBJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.09
Rot. Bonds8

About 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide

6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide (PubChem CID 106712150) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
PubChem CID106712150
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCC(COC)C1
InChIInChI=1S/C14H29N3O/c1-14(2,13(15)16)7-4-5-8-17-9-6-12(10-17)11-18-3/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyZGJDQHBRPAUNBJ-UHFFFAOYSA-N
XLogP2.09
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.09
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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Related Compounds

5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide (CID 106712150) is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN1CCC(COC)C1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide?
The InChIKey is ZGJDQHBRPAUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,13(15)16)7-4-5-8-17-9-6-12(10-17)11-18-3/h12H,4-11H2,1-3H3,(H3,15,16).
What are the key properties of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide?
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).