N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine

C14H28N2O — CID 102740927

IUPACN-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCN(C)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)14(10-15-12-4-5-12)17-9-8-16(3)13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyGZYZSYNYGNZYAQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds9

About N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine

N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine (PubChem CID 102740927) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
PubChem CID102740927
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCN(C)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)14(10-15-12-4-5-12)17-9-8-16(3)13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyGZYZSYNYGNZYAQ-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine (CID 102740927) is N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)OCCN(C)C1CC1.
What is the InChIKey of N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine?
The InChIKey is GZYZSYNYGNZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)14(10-15-12-4-5-12)17-9-8-16(3)13-6-7-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine?
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 102740927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).