N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide

C18H37N3O — CID 67740997

IUPACN'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide
SMILESCC(C)CC/C(N)=N\CCCCN1CCC(C(C)CO)CC1
InChIInChI=1S/C18H37N3O/c1-15(2)6-7-18(19)20-10-4-5-11-21-12-8-17(9-13-21)16(3)14-22/h15-17,22H,4-14H2,1-3H3,(H2,19,20)
InChIKeyAEGYMYNFXDDLJY-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.90
Rot. Bonds10

About N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide

N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide (PubChem CID 67740997) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide.

Molecular Properties

Compound NameN'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide
PubChem CID67740997
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC NameN'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide
SMILESCC(C)CC/C(N)=N\CCCCN1CCC(C(C)CO)CC1
InChIInChI=1S/C18H37N3O/c1-15(2)6-7-18(19)20-10-4-5-11-21-12-8-17(9-13-21)16(3)14-22/h15-17,22H,4-14H2,1-3H3,(H2,19,20)
InChIKeyAEGYMYNFXDDLJY-UHFFFAOYSA-N
XLogP2.90
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide?
The IUPAC name of N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide (CID 67740997) is N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide.
What is the SMILES notation for N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide?
The canonical SMILES for N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide is CC(C)CC/C(N)=N\CCCCN1CCC(C(C)CO)CC1.
What is the InChIKey of N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide?
The InChIKey is AEGYMYNFXDDLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-15(2)6-7-18(19)20-10-4-5-11-21-12-8-17(9-13-21)16(3)14-22/h15-17,22H,4-14H2,1-3H3,(H2,19,20).
What are the key properties of N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide?
N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide has a molecular weight of 311.51 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butyl]-4-methylpentanimidamide is sourced from PubChem (CID 67740997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).