N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine

C17H34N2O — CID 62262409

IUPACN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
SMILESCCN(CC1(CNC(C)C)CCOC1)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-19(16-8-6-5-7-9-16)13-17(10-11-20-14-17)12-18-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyZUMNYMJUMRCUKB-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds7

About N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine (PubChem CID 62262409) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
PubChem CID62262409
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
SMILESCCN(CC1(CNC(C)C)CCOC1)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-19(16-8-6-5-7-9-16)13-17(10-11-20-14-17)12-18-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyZUMNYMJUMRCUKB-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine (CID 62262409) is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine is CCN(CC1(CNC(C)C)CCOC1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine?
The InChIKey is ZUMNYMJUMRCUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-19(16-8-6-5-7-9-16)13-17(10-11-20-14-17)12-18-15(2)3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine?
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine is sourced from PubChem (CID 62262409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).