N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

C16H28ClNO — CID 102900973

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESClCCC1(CNCC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H28ClNO/c17-11-10-15(8-9-15)13-18-12-14-4-7-16(19-14)5-2-1-3-6-16/h14,18H,1-13H2
InChIKeyVUKPBMJZDOEFKI-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.87
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (PubChem CID 102900973) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
PubChem CID102900973
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESClCCC1(CNCC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H28ClNO/c17-11-10-15(8-9-15)13-18-12-14-4-7-16(19-14)5-2-1-3-6-16/h14,18H,1-13H2
InChIKeyVUKPBMJZDOEFKI-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900846
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (CID 102900973) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is ClCCC1(CNCC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The InChIKey is VUKPBMJZDOEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c17-11-10-15(8-9-15)13-18-12-14-4-7-16(19-14)5-2-1-3-6-16/h14,18H,1-13H2.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine has a molecular weight of 285.86 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is sourced from PubChem (CID 102900973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).