N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine

C12H25NO — CID 62455853

IUPACN-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine
SMILESCC(C)(C)OCCCCCNC1CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-10-6-4-5-9-13-11-7-8-11/h11,13H,4-10H2,1-3H3
InChIKeyANLZUYNKISOIDG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds7

About N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine

N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine (PubChem CID 62455853) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine
PubChem CID62455853
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine
SMILESCC(C)(C)OCCCCCNC1CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-10-6-4-5-9-13-11-7-8-11/h11,13H,4-10H2,1-3H3
InChIKeyANLZUYNKISOIDG-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine?
The IUPAC name of N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine (CID 62455853) is N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine?
The canonical SMILES for N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine is CC(C)(C)OCCCCCNC1CC1.
What is the InChIKey of N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine?
The InChIKey is ANLZUYNKISOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)14-10-6-4-5-9-13-11-7-8-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine?
N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine is sourced from PubChem (CID 62455853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).