N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine

C10H21NO — CID 43146944

IUPACN-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine
SMILESCOC(C)(C)CC(C)NC1CC1
InChIInChI=1S/C10H21NO/c1-8(11-9-5-6-9)7-10(2,3)12-4/h8-9,11H,5-7H2,1-4H3
InChIKeyYIWLCOXHBVXQRL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine

N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine (PubChem CID 43146944) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine
PubChem CID43146944
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine
SMILESCOC(C)(C)CC(C)NC1CC1
InChIInChI=1S/C10H21NO/c1-8(11-9-5-6-9)7-10(2,3)12-4/h8-9,11H,5-7H2,1-4H3
InChIKeyYIWLCOXHBVXQRL-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine (CID 43146944) is N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine is COC(C)(C)CC(C)NC1CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine?
The InChIKey is YIWLCOXHBVXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(11-9-5-6-9)7-10(2,3)12-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine?
N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine is sourced from PubChem (CID 43146944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).