(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine

C15H30N2O — CID 97231651

IUPAC(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine
SMILESC=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](C)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-6-7-12(2)13(3)16-14(4)15(5)17-8-10-18-11-9-17/h6,12-16H,1,7-11H2,2-5H3/t12-,13-,14-,15+/m0/s1
InChIKeyBOBYWLFRNUFRSU-ZQDZILKHSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds7

About (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine

(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine (PubChem CID 97231651) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine
PubChem CID97231651
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine
SMILESC=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](C)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-6-7-12(2)13(3)16-14(4)15(5)17-8-10-18-11-9-17/h6,12-16H,1,7-11H2,2-5H3/t12-,13-,14-,15+/m0/s1
InChIKeyBOBYWLFRNUFRSU-ZQDZILKHSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine with MolForge

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
N-(2-morpholin-4-ylethyl)pent-4-en-1-amine
CID 64316703
(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
CID 134291680
4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
CID 134321765
ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
CID 145472451
4-[[(3R)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
CID 149260634
4-[(1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl)oxy]piperidin-3-amine
CID 149260636
(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine
CID 163976215
Azane;2-ethyl-2-prop-2-enylmorpholine
CID 174744025
1-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylpiperidin-4-amine
CID 4711814
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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine?
The IUPAC name of (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine (CID 97231651) is (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine.
What is the SMILES notation for (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine?
The canonical SMILES for (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine is C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](C)N1CCOCC1.
What is the InChIKey of (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine?
The InChIKey is BOBYWLFRNUFRSU-ZQDZILKHSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-7-12(2)13(3)16-14(4)15(5)17-8-10-18-11-9-17/h6,12-16H,1,7-11H2,2-5H3/t12-,13-,14-,15+/m0/s1.
What are the key properties of (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine?
(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine is sourced from PubChem (CID 97231651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).