N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine

C11H23N — CID 62712630

IUPACN-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
SMILESCCC1(C)CC1CNC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-11(5)7-9(11)8-12-10(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyQUMDJCAWGHRDRR-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine

N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine (PubChem CID 62712630) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
PubChem CID62712630
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
SMILESCCC1(C)CC1CNC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-11(5)7-9(11)8-12-10(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyQUMDJCAWGHRDRR-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine (CID 62712630) is N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine is CCC1(C)CC1CNC(C)(C)C.
What is the InChIKey of N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine?
The InChIKey is QUMDJCAWGHRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-11(5)7-9(11)8-12-10(2,3)4/h9,12H,6-8H2,1-5H3.
What are the key properties of N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine?
N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62712630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).