N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine

C15H29NO — CID 114158070

IUPACN-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
SMILESC1CCCC(NCCOCCC2CCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-4-9-15(8-3-1)16-11-13-17-12-10-14-6-5-7-14/h14-16H,1-13H2
InChIKeyLJQHKQZMCMEHFE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine

N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine (PubChem CID 114158070) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
PubChem CID114158070
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
SMILESC1CCCC(NCCOCCC2CCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-4-9-15(8-3-1)16-11-13-17-12-10-14-6-5-7-14/h14-16H,1-13H2
InChIKeyLJQHKQZMCMEHFE-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.51
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-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
2-[2-(cyclohexylamino)ethoxy]ethanol
CID 3361598
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
2-[2-(cycloheptylamino)ethoxy]acetic acid
CID 82934150

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine (CID 114158070) is N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine is C1CCCC(NCCOCCC2CCC2)CC1.
What is the InChIKey of N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine?
The InChIKey is LJQHKQZMCMEHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-4-9-15(8-3-1)16-11-13-17-12-10-14-6-5-7-14/h14-16H,1-13H2.
What are the key properties of N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine?
N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine has a molecular weight of 239.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine is sourced from PubChem (CID 114158070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).