1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine

C10H19N3 — CID 602208

IUPAC1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESCC12CN3CCN(CC(C3)C1N)C2
InChIInChI=1S/C10H19N3/c1-10-6-12-2-3-13(7-10)5-8(4-12)9(10)11/h8-9H,2-7,11H2,1H3
InChIKeyPRTQLXHGKMWUIY-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.42
Rot. Bonds

About 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine

1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (PubChem CID 602208) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.

Molecular Properties

Compound Name1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
PubChem CID602208
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESCC12CN3CCN(CC(C3)C1N)C2
InChIInChI=1S/C10H19N3/c1-10-6-12-2-3-13(7-10)5-8(4-12)9(10)11/h8-9H,2-7,11H2,1H3
InChIKeyPRTQLXHGKMWUIY-UHFFFAOYSA-N
XLogP-0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The IUPAC name of 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (CID 602208) is 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.
What is the SMILES notation for 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The canonical SMILES for 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is CC12CN3CCN(CC(C3)C1N)C2.
What is the InChIKey of 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The InChIKey is PRTQLXHGKMWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10-6-12-2-3-13(7-10)5-8(4-12)9(10)11/h8-9H,2-7,11H2,1H3.
What are the key properties of 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine has a molecular weight of 181.28 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is sourced from PubChem (CID 602208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).