3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide

C14H28N2O — CID 43368865

IUPAC3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide
SMILES[H]/N=C(\N)CC(CC)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-5-11(7-13(15)16)17-12-6-10(2)8-14(3,4)9-12/h10-12H,5-9H2,1-4H3,(H3,15,16)
InChIKeyBEFPAHMUUZGCTA-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.32
Rot. Bonds5

About 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide

3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide (PubChem CID 43368865) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide.

Molecular Properties

Compound Name3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide
PubChem CID43368865
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide
SMILES[H]/N=C(\N)CC(CC)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-5-11(7-13(15)16)17-12-6-10(2)8-14(3,4)9-12/h10-12H,5-9H2,1-4H3,(H3,15,16)
InChIKeyBEFPAHMUUZGCTA-UHFFFAOYSA-N
XLogP3.32
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.32
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

N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
CID 83044629
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62457350
N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
CID 83044983
3-(3-methylcyclohexyl)oxybutanimidamide
CID 114995551
2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropanethioamide
CID 43368861
3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
CID 66368346
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
3-(2-ethoxyethoxy)pentanimidamide
CID 43368509
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide?
The IUPAC name of 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide (CID 43368865) is 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide.
What is the SMILES notation for 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide?
The canonical SMILES for 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide is [H]/N=C(\N)CC(CC)OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide?
The InChIKey is BEFPAHMUUZGCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11(7-13(15)16)17-12-6-10(2)8-14(3,4)9-12/h10-12H,5-9H2,1-4H3,(H3,15,16).
What are the key properties of 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide?
3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide has a molecular weight of 240.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide is sourced from PubChem (CID 43368865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).