N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine

C14H24BrNO — CID 102900855

IUPACN-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCC2(CCCC2)O1)C1CC1
InChIInChI=1S/C14H24BrNO/c15-9-10-16(12-3-4-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2
InChIKeyOZJHPWJUAAAXJM-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.34
Rot. Bonds5

About N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine

N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine (PubChem CID 102900855) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
PubChem CID102900855
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCC2(CCCC2)O1)C1CC1
InChIInChI=1S/C14H24BrNO/c15-9-10-16(12-3-4-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2
InChIKeyOZJHPWJUAAAXJM-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107487448
N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965337
N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896428
2-[Cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 102900020
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102900849
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900850
2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102900851
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
CID 102900856
2-(Bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900858
3-Bromo-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900859
4-(Bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine (CID 102900855) is N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine is BrCCN(CC1CCC2(CCCC2)O1)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine?
The InChIKey is OZJHPWJUAAAXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-9-10-16(12-3-4-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2.
What are the key properties of N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine?
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine has a molecular weight of 302.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 102900855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).