1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine

C22H35N5O — CID 118263928

IUPAC1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2ncc(C)cc2/N=C/C(C)=C\N)CCC1NC1CCCCC1
InChIInChI=1S/C22H35N5O/c1-16-11-20(24-14-17(2)12-23)22(25-13-16)27-10-9-19(21(15-27)28-3)26-18-7-5-4-6-8-18/h11-14,18-19,21,26H,4-10,15,23H2,1-3H3/b17-12-,24-14+
InChIKeyBHKRXLHWRKSFAJ-UWPCPPDFSA-N
MW385.56 g/mol
LogP3.47
Rot. Bonds6

About 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine

1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine (PubChem CID 118263928) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine
PubChem CID118263928
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2ncc(C)cc2/N=C/C(C)=C\N)CCC1NC1CCCCC1
InChIInChI=1S/C22H35N5O/c1-16-11-20(24-14-17(2)12-23)22(25-13-16)27-10-9-19(21(15-27)28-3)26-18-7-5-4-6-8-18/h11-14,18-19,21,26H,4-10,15,23H2,1-3H3/b17-12-,24-14+
InChIKeyBHKRXLHWRKSFAJ-UWPCPPDFSA-N
XLogP3.47
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine?
The IUPAC name of 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine (CID 118263928) is 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine.
What is the SMILES notation for 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine?
The canonical SMILES for 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine is COC1CN(c2ncc(C)cc2/N=C/C(C)=C\N)CCC1NC1CCCCC1.
What is the InChIKey of 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine?
The InChIKey is BHKRXLHWRKSFAJ-UWPCPPDFSA-N. The full InChI is InChI=1S/C22H35N5O/c1-16-11-20(24-14-17(2)12-23)22(25-13-16)27-10-9-19(21(15-27)28-3)26-18-7-5-4-6-8-18/h11-14,18-19,21,26H,4-10,15,23H2,1-3H3/b17-12-,24-14+.
What are the key properties of 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine?
1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine has a molecular weight of 385.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine is sourced from PubChem (CID 118263928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).