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

C13H27NO — CID 167132075

IUPACN-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine
SMILESCC(C)(CCCOC(C)(C)C)NC1CC1
InChIInChI=1S/C13H27NO/c1-12(2,3)15-10-6-9-13(4,5)14-11-7-8-11/h11,14H,6-10H2,1-5H3
InChIKeyPJCPZZUSTVHZIV-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

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

N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine (PubChem CID 167132075) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine
PubChem CID167132075
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine
SMILESCC(C)(CCCOC(C)(C)C)NC1CC1
InChIInChI=1S/C13H27NO/c1-12(2,3)15-10-6-9-13(4,5)14-11-7-8-11/h11,14H,6-10H2,1-5H3
InChIKeyPJCPZZUSTVHZIV-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
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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Related Compounds

N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
N-(2-methylnonan-2-yl)piperidin-4-amine
CID 167126912
2-(cyclopropylamino)-2-methylpropan-1-ol
CID 61056004
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513
1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine
CID 138671879
N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
CID 102641239
N-(2-methylhexan-2-yl)pyrrolidin-3-amine
CID 139362773
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane
CID 162057209
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine?
The IUPAC name of N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine (CID 167132075) is N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine is CC(C)(CCCOC(C)(C)C)NC1CC1.
What is the InChIKey of N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine?
The InChIKey is PJCPZZUSTVHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)15-10-6-9-13(4,5)14-11-7-8-11/h11,14H,6-10H2,1-5H3.
What are the key properties of N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine?
N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine is sourced from PubChem (CID 167132075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).