N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine

C16H33NO — CID 55107088

IUPACN-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine
SMILESCCCCC(CC)(CCOC(C)C)CNC1CC1
InChIInChI=1S/C16H33NO/c1-5-7-10-16(6-2,11-12-18-14(3)4)13-17-15-8-9-15/h14-15,17H,5-13H2,1-4H3
InChIKeyTXDRJEHJAOESFQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds11

About N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine

N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine (PubChem CID 55107088) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine
PubChem CID55107088
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine
SMILESCCCCC(CC)(CCOC(C)C)CNC1CC1
InChIInChI=1S/C16H33NO/c1-5-7-10-16(6-2,11-12-18-14(3)4)13-17-15-8-9-15/h14-15,17H,5-13H2,1-4H3
InChIKeyTXDRJEHJAOESFQ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine (CID 55107088) is N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine is CCCCC(CC)(CCOC(C)C)CNC1CC1.
What is the InChIKey of N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine?
The InChIKey is TXDRJEHJAOESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-10-16(6-2,11-12-18-14(3)4)13-17-15-8-9-15/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine?
N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine is sourced from PubChem (CID 55107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).