(6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine

C22H38N2O2 — CID 143875822

IUPAC(6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine
SMILESCCCC(CCC)CCN1CC(C)OC/C1=C1/C=C(OC)C=CC1NC
InChIInChI=1S/C22H38N2O2/c1-6-8-18(9-7-2)12-13-24-15-17(3)26-16-22(24)20-14-19(25-5)10-11-21(20)23-4/h10-11,14,17-18,21,23H,6-9,12-13,15-16H2,1-5H3/b22-20+
InChIKeyFAZSSLGQFSWABU-LSDHQDQOSA-N
MW362.56 g/mol
LogP4.26
Rot. Bonds9

About (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine

(6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine (PubChem CID 143875822) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine
PubChem CID143875822
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name(6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine
SMILESCCCC(CCC)CCN1CC(C)OC/C1=C1/C=C(OC)C=CC1NC
InChIInChI=1S/C22H38N2O2/c1-6-8-18(9-7-2)12-13-24-15-17(3)26-16-22(24)20-14-19(25-5)10-11-21(20)23-4/h10-11,14,17-18,21,23H,6-9,12-13,15-16H2,1-5H3/b22-20+
InChIKeyFAZSSLGQFSWABU-LSDHQDQOSA-N
XLogP4.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine?
The IUPAC name of (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine (CID 143875822) is (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine is CCCC(CCC)CCN1CC(C)OC/C1=C1/C=C(OC)C=CC1NC.
What is the InChIKey of (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine?
The InChIKey is FAZSSLGQFSWABU-LSDHQDQOSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-6-8-18(9-7-2)12-13-24-15-17(3)26-16-22(24)20-14-19(25-5)10-11-21(20)23-4/h10-11,14,17-18,21,23H,6-9,12-13,15-16H2,1-5H3/b22-20+.
What are the key properties of (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine?
(6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine has a molecular weight of 362.56 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-methoxy-N-methyl-6-[6-methyl-4-(3-propylhexyl)morpholin-3-ylidene]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143875822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).