N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine

C15H30ClNO — CID 103969204

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCC1(CCl)CCCCC1
InChIInChI=1S/C15H30ClNO/c1-14(2)6-10-18-11-9-17-13-15(12-16)7-4-3-5-8-15/h14,17H,3-13H2,1-2H3
InChIKeyVVDHLAPDFVBFKL-UHFFFAOYSA-N
MW275.86 g/mol
LogP3.83
Rot. Bonds9

About N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine (PubChem CID 103969204) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
PubChem CID103969204
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCC1(CCl)CCCCC1
InChIInChI=1S/C15H30ClNO/c1-14(2)6-10-18-11-9-17-13-15(12-16)7-4-3-5-8-15/h14,17H,3-13H2,1-2H3
InChIKeyVVDHLAPDFVBFKL-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
CID 66034231
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine (CID 103969204) is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine is CC(C)CCOCCNCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine?
The InChIKey is VVDHLAPDFVBFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-14(2)6-10-18-11-9-17-13-15(12-16)7-4-3-5-8-15/h14,17H,3-13H2,1-2H3.
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine?
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine has a molecular weight of 275.86 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 103969204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).