2-(4-methoxyazepan-1-yl)propanimidamide

C10H21N3O — CID 164647863

IUPAC2-(4-methoxyazepan-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCCC(OC)CC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)13-6-3-4-9(14-2)5-7-13/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyWKCHUEMQRZJZJS-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-methoxyazepan-1-yl)propanimidamide

2-(4-methoxyazepan-1-yl)propanimidamide (PubChem CID 164647863) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-methoxyazepan-1-yl)propanimidamide.

Molecular Properties

Compound Name2-(4-methoxyazepan-1-yl)propanimidamide
PubChem CID164647863
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-methoxyazepan-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCCC(OC)CC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)13-6-3-4-9(14-2)5-7-13/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyWKCHUEMQRZJZJS-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

2-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
CID 102958495
2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404839
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
3-methoxypiperidine-1-carboximidamide
CID 19089238
3,3,3-trifluoro-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370849
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 102971289
2-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]propanimidamide
CID 64989510
[(4S)-4-methoxyazepan-1-yl]methanamine
CID 178155799
3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
CID 62780437
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
2-(4-methoxypiperidin-1-yl)-3-methylbutanehydrazide
CID 63574228

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyazepan-1-yl)propanimidamide?
The IUPAC name of 2-(4-methoxyazepan-1-yl)propanimidamide (CID 164647863) is 2-(4-methoxyazepan-1-yl)propanimidamide.
What is the SMILES notation for 2-(4-methoxyazepan-1-yl)propanimidamide?
The canonical SMILES for 2-(4-methoxyazepan-1-yl)propanimidamide is [H]/N=C(\N)C(C)N1CCCC(OC)CC1.
What is the InChIKey of 2-(4-methoxyazepan-1-yl)propanimidamide?
The InChIKey is WKCHUEMQRZJZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(10(11)12)13-6-3-4-9(14-2)5-7-13/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-(4-methoxyazepan-1-yl)propanimidamide?
2-(4-methoxyazepan-1-yl)propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyazepan-1-yl)propanimidamide is sourced from PubChem (CID 164647863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).