2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide

C10H21N3O — CID 107404839

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H21N3O/c1-8(9(11)12)13-6-3-4-10(2,14)5-7-13/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyNHEPPSSHGVCMRU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds2

About 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide

2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide (PubChem CID 107404839) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
PubChem CID107404839
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H21N3O/c1-8(9(11)12)13-6-3-4-10(2,14)5-7-13/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyNHEPPSSHGVCMRU-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(1-Aminopropan-2-yl)-4-methylazepan-4-ol
CID 107403974
1-(1-Aminobutan-2-yl)-4-methylazepan-4-ol
CID 107403980
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404781
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404787
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404791
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404795
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
CID 107404797
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404798
N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404800
5-(4-Hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404841
3-(4-Hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404842
2-(4-Hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404849

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide (CID 107404839) is 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide is [H]/N=C(\N)C(C)N1CCCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
The InChIKey is NHEPPSSHGVCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(9(11)12)13-6-3-4-10(2,14)5-7-13/h8,14H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide is sourced from PubChem (CID 107404839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).