N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine

C17H20N2O2 — CID 63481035

IUPACN-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine
SMILESCCCNc1c2c(nc3cc4c(cc13)OCCO4)CCC2
InChIInChI=1S/C17H20N2O2/c1-2-6-18-17-11-4-3-5-13(11)19-14-10-16-15(9-12(14)17)20-7-8-21-16/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyNYJNRDZHQQGCHY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds3

About N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine

N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine (PubChem CID 63481035) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine.

Molecular Properties

Compound NameN-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine
PubChem CID63481035
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine
SMILESCCCNc1c2c(nc3cc4c(cc13)OCCO4)CCC2
InChIInChI=1S/C17H20N2O2/c1-2-6-18-17-11-4-3-5-13(11)19-14-10-16-15(9-12(14)17)20-7-8-21-16/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyNYJNRDZHQQGCHY-UHFFFAOYSA-N
XLogP3.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine with MolForge

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Related Compounds

6,7-dimethoxy-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203771
6-fluoro-7-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 103996222
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479722
7-fluoro-8-methyl-N-propyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473331
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982
5,7-dibromo-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63483296
8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481213
2-fluoro-4-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479739
N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine
CID 106472954
4-fluoro-2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480102
6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
CID 71661697

Frequently Asked Questions

What is the IUPAC name of N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine?
The IUPAC name of N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine (CID 63481035) is N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine.
What is the SMILES notation for N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine?
The canonical SMILES for N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine is CCCNc1c2c(nc3cc4c(cc13)OCCO4)CCC2.
What is the InChIKey of N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine?
The InChIKey is NYJNRDZHQQGCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-6-18-17-11-4-3-5-13(11)19-14-10-16-15(9-12(14)17)20-7-8-21-16/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine?
N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine has a molecular weight of 284.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine is sourced from PubChem (CID 63481035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).