(1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine

C20H29N — CID 25030211

IUPAC(1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine
SMILESCN(C)[C@@H]1CCCC2CC3Cc4ccccc4C[C@H]3C[C@H]21
InChIInChI=1S/C20H29N/c1-21(2)20-9-5-8-16-12-17-10-14-6-3-4-7-15(14)11-18(17)13-19(16)20/h3-4,6-7,16-20H,5,8-13H2,1-2H3/t16?,17?,18-,19+,20+/m0/s1
InChIKeyUKEDDDVEDIMOGZ-GNWGEKMJSA-N
MW283.46 g/mol
LogP4.16
Rot. Bonds1

About (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine

(1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine (PubChem CID 25030211) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine.

Molecular Properties

Compound Name(1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine
PubChem CID25030211
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine
SMILESCN(C)[C@@H]1CCCC2CC3Cc4ccccc4C[C@H]3C[C@H]21
InChIInChI=1S/C20H29N/c1-21(2)20-9-5-8-16-12-17-10-14-6-3-4-7-15(14)11-18(17)13-19(16)20/h3-4,6-7,16-20H,5,8-13H2,1-2H3/t16?,17?,18-,19+,20+/m0/s1
InChIKeyUKEDDDVEDIMOGZ-GNWGEKMJSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine?
The IUPAC name of (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine (CID 25030211) is (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine.
What is the SMILES notation for (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine?
The canonical SMILES for (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine is CN(C)[C@@H]1CCCC2CC3Cc4ccccc4C[C@H]3C[C@H]21.
What is the InChIKey of (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine?
The InChIKey is UKEDDDVEDIMOGZ-GNWGEKMJSA-N. The full InChI is InChI=1S/C20H29N/c1-21(2)20-9-5-8-16-12-17-10-14-6-3-4-7-15(14)11-18(17)13-19(16)20/h3-4,6-7,16-20H,5,8-13H2,1-2H3/t16?,17?,18-,19+,20+/m0/s1.
What are the key properties of (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine?
(1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine has a molecular weight of 283.46 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11aR,12aR)-N,N-dimethyl-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracen-1-amine is sourced from PubChem (CID 25030211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).