N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

C22H32F2N4 — CID 89085353

IUPACN-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C(CC)C/C=C(\N)C(F)F)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C22H32F2N4/c1-3-5-16-12-17(15(4-2)6-7-20(26)22(23)24)13-21(19(16)14-25)28-18-8-10-27-11-9-18/h3,5,7,12-15,18,22,27-28H,1,4,6,8-11,25-26H2,2H3/b16-5-,19-14+,20-7-
InChIKeySRCWMDDPNWMAAV-IMWKPJONSA-N
MW390.52 g/mol
LogP2.51
Rot. Bonds8

About N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085353) has the molecular formula C22H32F2N4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085353
Molecular FormulaC22H32F2N4
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC NameN-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C(CC)C/C=C(\N)C(F)F)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C22H32F2N4/c1-3-5-16-12-17(15(4-2)6-7-20(26)22(23)24)13-21(19(16)14-25)28-18-8-10-27-11-9-18/h3,5,7,12-15,18,22,27-28H,1,4,6,8-11,25-26H2,2H3/b16-5-,19-14+,20-7-
InChIKeySRCWMDDPNWMAAV-IMWKPJONSA-N
XLogP2.51
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085353) is N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C(CC)C/C=C(\N)C(F)F)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is SRCWMDDPNWMAAV-IMWKPJONSA-N. The full InChI is InChI=1S/C22H32F2N4/c1-3-5-16-12-17(15(4-2)6-7-20(26)22(23)24)13-21(19(16)14-25)28-18-8-10-27-11-9-18/h3,5,7,12-15,18,22,27-28H,1,4,6,8-11,25-26H2,2H3/b16-5-,19-14+,20-7-.
What are the key properties of N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 390.52 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).