N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine

C17H33NO2 — CID 102607762

IUPACN-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2COC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-5-10-18-13-17(20-15-11-19-12-15)8-6-14(7-9-17)16(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyMBXXZUCSPHKZID-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds6

About N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine

N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 102607762) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine
PubChem CID102607762
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2COC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-5-10-18-13-17(20-15-11-19-12-15)8-6-14(7-9-17)16(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyMBXXZUCSPHKZID-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
CID 64732041
N-[[4-ethyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 102607725
N-[[1-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 55214893
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
CID 115942646
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-1-amine
CID 63509617
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
CID 115669701

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine (CID 102607762) is N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OC2COC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is MBXXZUCSPHKZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-10-18-13-17(20-15-11-19-12-15)8-6-14(7-9-17)16(2,3)4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine?
N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 102607762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).