2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine

C13H26N2O — CID 4712397

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
SMILESC=CCC(NCCN1CCOCC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-13(12(2)3)14-6-7-15-8-10-16-11-9-15/h4,12-14H,1,5-11H2,2-3H3
InChIKeyLMQLBVJSJSMLKB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.51
Rot. Bonds7

About 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine

2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine (PubChem CID 4712397) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
PubChem CID4712397
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
SMILESC=CCC(NCCN1CCOCC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-13(12(2)3)14-6-7-15-8-10-16-11-9-15/h4,12-14H,1,5-11H2,2-3H3
InChIKeyLMQLBVJSJSMLKB-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
CID 130179835
(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
CID 134291680
(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine
CID 163976215
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
CID 4711961
N-(2-morpholin-4-ylethyl)hept-1-en-4-amine
CID 4712394
N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
CID 4712416
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 43180942
N-(cyclohex-3-en-1-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 43205334
N-(cyclohex-3-en-1-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675664
4-(3,5-Dimethylhepta-1,6-dien-4-yl)morpholine
CID 44221628
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 62066707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine (CID 4712397) is 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine is C=CCC(NCCN1CCOCC1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine?
The InChIKey is LMQLBVJSJSMLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-13(12(2)3)14-6-7-15-8-10-16-11-9-15/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine?
2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine is sourced from PubChem (CID 4712397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).