N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine

C17H26N2S — CID 160804407

IUPACN-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine
SMILESCCCN1/C=C/C=C\C=C\SC2=CCCC=C21.CNC
InChIInChI=1S/C15H19NS.C2H7N/c1-2-11-16-12-7-3-4-8-13-17-15-10-6-5-9-14(15)16;1-3-2/h3-4,7-10,12-13H,2,5-6,11H2,1H3;3H,1-2H3/b4-3-,12-7+,13-8+;
InChIKeySDMPIGUMPKOGFA-CQTPAVIWSA-N
MW290.48 g/mol
LogP4.43
Rot. Bonds2

About N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine

N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine (PubChem CID 160804407) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine.

Molecular Properties

Compound NameN-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine
PubChem CID160804407
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine
SMILESCCCN1/C=C/C=C\C=C\SC2=CCCC=C21.CNC
InChIInChI=1S/C15H19NS.C2H7N/c1-2-11-16-12-7-3-4-8-13-17-15-10-6-5-9-14(15)16;1-3-2/h3-4,7-10,12-13H,2,5-6,11H2,1H3;3H,1-2H3/b4-3-,12-7+,13-8+;
InChIKeySDMPIGUMPKOGFA-CQTPAVIWSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 117717485
CID 117717485
CID 123534628
CID 123534628
CID 123728684
CID 123728684
CID 143707900
CID 143707900
CID 146339711
CID 146339711
CID 146604256
CID 146604256
CID 166842063
CID 166842063
CID 145617776
CID 145617776

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine?
The IUPAC name of N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine (CID 160804407) is N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine.
What is the SMILES notation for N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine?
The canonical SMILES for N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine is CCCN1/C=C/C=C\C=C\SC2=CCCC=C21.CNC.
What is the InChIKey of N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine?
The InChIKey is SDMPIGUMPKOGFA-CQTPAVIWSA-N. The full InChI is InChI=1S/C15H19NS.C2H7N/c1-2-11-16-12-7-3-4-8-13-17-15-10-6-5-9-14(15)16;1-3-2/h3-4,7-10,12-13H,2,5-6,11H2,1H3;3H,1-2H3/b4-3-,12-7+,13-8+;.
What are the key properties of N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine?
N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine has a molecular weight of 290.48 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine is sourced from PubChem (CID 160804407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).