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

C14H28N2O — CID 4711961

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
SMILESC=CCC(NCCCN1CCOCC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-6-14(13(2)3)15-7-5-8-16-9-11-17-12-10-16/h4,13-15H,1,5-12H2,2-3H3
InChIKeyCAUDWIUVXVMXNM-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds8

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

2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine (PubChem CID 4711961) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
PubChem CID4711961
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
SMILESC=CCC(NCCCN1CCOCC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-6-14(13(2)3)15-7-5-8-16-9-11-17-12-10-16/h4,13-15H,1,5-12H2,2-3H3
InChIKeyCAUDWIUVXVMXNM-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
CID 176945999
N-(2-morpholin-4-ylethyl)hept-1-en-4-amine
CID 4712394
2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
CID 4712397
N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
CID 4712416
4-(3,5-Dimethylhepta-1,6-dien-4-yl)morpholine
CID 44221628
2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine
CID 62591672
N-[(1-but-3-en-2-ylpiperidin-4-yl)methyl]-2-methoxyethanamine
CID 63848444
N-[(1-but-3-en-2-ylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63849538
2-methoxy-N-[(1-pent-4-enylpiperidin-3-yl)methyl]ethanamine
CID 64297489
N-[(1-but-3-enylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 64297490
2-methoxy-N-[(1-pent-4-enylpiperidin-4-yl)methyl]ethanamine
CID 64300261
N-[(1-but-3-enylpiperidin-4-yl)methyl]-2-methoxyethanamine
CID 64300262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine (CID 4711961) is 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine is C=CCC(NCCCN1CCOCC1)C(C)C.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine?
The InChIKey is CAUDWIUVXVMXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-14(13(2)3)15-7-5-8-16-9-11-17-12-10-16/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine?
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine is sourced from PubChem (CID 4711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).