methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide

C15H25N3 — CID 158688856

IUPACmethane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide
SMILESC.[H]/N=C(\N)CC1CCC(c2ccc(NC)cc2)C1
InChIInChI=1S/C14H21N3.CH4/c1-17-13-6-4-11(5-7-13)12-3-2-10(8-12)9-14(15)16;/h4-7,10,12,17H,2-3,8-9H2,1H3,(H3,15,16);1H4
InChIKeyIGBWDZJKYJYOSZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.57
Rot. Bonds4

About methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide

methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide (PubChem CID 158688856) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide.

Molecular Properties

Compound Namemethane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide
PubChem CID158688856
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Namemethane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide
SMILESC.[H]/N=C(\N)CC1CCC(c2ccc(NC)cc2)C1
InChIInChI=1S/C14H21N3.CH4/c1-17-13-6-4-11(5-7-13)12-3-2-10(8-12)9-14(15)16;/h4-7,10,12,17H,2-3,8-9H2,1H3,(H3,15,16);1H4
InChIKeyIGBWDZJKYJYOSZ-UHFFFAOYSA-N
XLogP3.57
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.57
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide?
The IUPAC name of methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide (CID 158688856) is methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide.
What is the SMILES notation for methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide?
The canonical SMILES for methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide is C.[H]/N=C(\N)CC1CCC(c2ccc(NC)cc2)C1.
What is the InChIKey of methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide?
The InChIKey is IGBWDZJKYJYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.CH4/c1-17-13-6-4-11(5-7-13)12-3-2-10(8-12)9-14(15)16;/h4-7,10,12,17H,2-3,8-9H2,1H3,(H3,15,16);1H4.
What are the key properties of methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide?
methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide has a molecular weight of 247.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide is sourced from PubChem (CID 158688856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).