N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine

C14H24N4 — CID 138631919

IUPACN-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine
SMILESCNC[C@@H]1[C@@H]2CCc3c(nnn3C(C)C)CC[C@@H]21
InChIInChI=1S/C14H24N4/c1-9(2)18-14-7-5-11-10(12(11)8-15-3)4-6-13(14)16-17-18/h9-12,15H,4-8H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyWRFLERYQYYRRKH-TUAOUCFPSA-N
MW248.37 g/mol
LogP1.82
Rot. Bonds3

About N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine

N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine (PubChem CID 138631919) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine
PubChem CID138631919
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine
SMILESCNC[C@@H]1[C@@H]2CCc3c(nnn3C(C)C)CC[C@@H]21
InChIInChI=1S/C14H24N4/c1-9(2)18-14-7-5-11-10(12(11)8-15-3)4-6-13(14)16-17-18/h9-12,15H,4-8H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyWRFLERYQYYRRKH-TUAOUCFPSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
The IUPAC name of N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine (CID 138631919) is N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine is CNC[C@@H]1[C@@H]2CCc3c(nnn3C(C)C)CC[C@@H]21.
What is the InChIKey of N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
The InChIKey is WRFLERYQYYRRKH-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H24N4/c1-9(2)18-14-7-5-11-10(12(11)8-15-3)4-6-13(14)16-17-18/h9-12,15H,4-8H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4R,5R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine is sourced from PubChem (CID 138631919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).