N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide

C14H30N2O — CID 59956883

IUPACN-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCC(C)C(C)(C)CC(C)CCO
InChIInChI=1S/C14H30N2O/c1-11(7-8-17)9-14(4,5)12(2)10-16-13(3)15-6/h11-12,17H,7-10H2,1-6H3,(H,15,16)
InChIKeyNMPUSYOZSVDDLW-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.70
Rot. Bonds7

About N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide

N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide (PubChem CID 59956883) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide
PubChem CID59956883
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCC(C)C(C)(C)CC(C)CCO
InChIInChI=1S/C14H30N2O/c1-11(7-8-17)9-14(4,5)12(2)10-16-13(3)15-6/h11-12,17H,7-10H2,1-6H3,(H,15,16)
InChIKeyNMPUSYOZSVDDLW-UHFFFAOYSA-N
XLogP2.70
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

5-(4,5-dihydro-1H-imidazol-2-yl)octadecan-1-ol
CID 53796168
[1-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclohexyl]methanol
CID 103966381
[1-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]cyclohexyl]methanol
CID 103966382
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]hexan-1-ol
CID 106115263
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]hexan-1-ol
CID 106115284
3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]hexan-1-ol
CID 106115304
[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol
CID 113359633

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide?
The IUPAC name of N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide (CID 59956883) is N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide.
What is the SMILES notation for N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide?
The canonical SMILES for N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide is C/N=C(\C)NCC(C)C(C)(C)CC(C)CCO.
What is the InChIKey of N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide?
The InChIKey is NMPUSYOZSVDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(7-8-17)9-14(4,5)12(2)10-16-13(3)15-6/h11-12,17H,7-10H2,1-6H3,(H,15,16).
What are the key properties of N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide?
N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide has a molecular weight of 242.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-2,3,3,5-tetramethylheptyl)-N'-methylethanimidamide is sourced from PubChem (CID 59956883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).