(2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine

C18H28N4O — CID 174001311

IUPAC(2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine
SMILESC=C(C)/C=C\C(N)C(C#C[C@@H](C)N)=N/C(=C\C)N1CCOCC1
InChIInChI=1S/C18H28N4O/c1-5-18(22-10-12-23-13-11-22)21-17(9-7-15(4)19)16(20)8-6-14(2)3/h5-6,8,15-16H,2,10-13,19-20H2,1,3-4H3/b8-6-,18-5+,21-17?/t15-,16?/m1/s1
InChIKeySJWQPMBWLGETQI-WYOUBYQISA-N
MW316.45 g/mol
LogP1.43
Rot. Bonds5

About (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine

(2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine (PubChem CID 174001311) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine.

Molecular Properties

Compound Name(2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine
PubChem CID174001311
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine
SMILESC=C(C)/C=C\C(N)C(C#C[C@@H](C)N)=N/C(=C\C)N1CCOCC1
InChIInChI=1S/C18H28N4O/c1-5-18(22-10-12-23-13-11-22)21-17(9-7-15(4)19)16(20)8-6-14(2)3/h5-6,8,15-16H,2,10-13,19-20H2,1,3-4H3/b8-6-,18-5+,21-17?/t15-,16?/m1/s1
InChIKeySJWQPMBWLGETQI-WYOUBYQISA-N
XLogP1.43
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine?
The IUPAC name of (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine (CID 174001311) is (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine.
What is the SMILES notation for (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine?
The canonical SMILES for (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine is C=C(C)/C=C\C(N)C(C#C[C@@H](C)N)=N/C(=C\C)N1CCOCC1.
What is the InChIKey of (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine?
The InChIKey is SJWQPMBWLGETQI-WYOUBYQISA-N. The full InChI is InChI=1S/C18H28N4O/c1-5-18(22-10-12-23-13-11-22)21-17(9-7-15(4)19)16(20)8-6-14(2)3/h5-6,8,15-16H,2,10-13,19-20H2,1,3-4H3/b8-6-,18-5+,21-17?/t15-,16?/m1/s1.
What are the key properties of (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine?
(2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine has a molecular weight of 316.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7Z)-9-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]iminodeca-7,9-dien-3-yne-2,6-diamine is sourced from PubChem (CID 174001311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).