N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine

C11H22N2O3 — CID 81101551

IUPACN-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
SMILESC(CN1CCOCC1)NCC1CCOCO1
InChIInChI=1S/C11H22N2O3/c1-6-15-10-16-11(1)9-12-2-3-13-4-7-14-8-5-13/h11-12H,1-10H2
InChIKeyGMBZWHGWJFWPFU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.33
Rot. Bonds5

About N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine

N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine (PubChem CID 81101551) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
PubChem CID81101551
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
SMILESC(CN1CCOCC1)NCC1CCOCO1
InChIInChI=1S/C11H22N2O3/c1-6-15-10-16-11(1)9-12-2-3-13-4-7-14-8-5-13/h11-12H,1-10H2
InChIKeyGMBZWHGWJFWPFU-UHFFFAOYSA-N
XLogP-0.33
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 81100973
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
CID 59303713
CID 59303713
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 106401954
2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 62557540
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine (CID 81101551) is N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine is C(CN1CCOCC1)NCC1CCOCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine?
The InChIKey is GMBZWHGWJFWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-15-10-16-11(1)9-12-2-3-13-4-7-14-8-5-13/h11-12H,1-10H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine?
N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 81101551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).