N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine

C15H28ClNO — CID 102900742

IUPACN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCCl)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H28ClNO/c1-2-3-11-17(12-10-16)13-14-6-9-15(18-14)7-4-5-8-15/h14H,2-13H2,1H3
InChIKeyXOXZZNQJCURWOW-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.82
Rot. Bonds7

About N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine

N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine (PubChem CID 102900742) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
PubChem CID102900742
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCCl)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H28ClNO/c1-2-3-11-17(12-10-16)13-14-6-9-15(18-14)7-4-5-8-15/h14H,2-13H2,1H3
InChIKeyXOXZZNQJCURWOW-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.82
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-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
2-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102897996
2-[Ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102897997
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile
CID 102897998
1-[Ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol
CID 102900059
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900741
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
CID 102900743
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine (CID 102900742) is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine is CCCCN(CCCl)CC1CCC2(CCCC2)O1.
What is the InChIKey of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The InChIKey is XOXZZNQJCURWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-2-3-11-17(12-10-16)13-14-6-9-15(18-14)7-4-5-8-15/h14H,2-13H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine has a molecular weight of 273.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102900742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).