(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine

C17H33FN4 — CID 141456619

IUPAC(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine
SMILESC[C@@H]1CCC[C@H](N)C2CC(CCN2)C2CC(F)NCC2NC1
InChIInChI=1S/C17H33FN4/c1-11-3-2-4-14(19)15-7-12(5-6-20-15)13-8-17(18)22-10-16(13)21-9-11/h11-17,20-22H,2-10,19H2,1H3/t11-,12?,13?,14+,15?,16?,17?/m1/s1
InChIKeyQZJZSZFBZMMUIR-KJGVXDFPSA-N
MW312.48 g/mol
LogP1.37
Rot. Bonds

About (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine

(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine (PubChem CID 141456619) has the molecular formula C17H33FN4 and a molecular weight of 312.48 g/mol. Its IUPAC name is (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine.

Molecular Properties

Compound Name(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine
PubChem CID141456619
Molecular FormulaC17H33FN4
Molecular Weight312.48 g/mol
Exact Mass312.27
IUPAC Name(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine
SMILESC[C@@H]1CCC[C@H](N)C2CC(CCN2)C2CC(F)NCC2NC1
InChIInChI=1S/C17H33FN4/c1-11-3-2-4-14(19)15-7-12(5-6-20-15)13-8-17(18)22-10-16(13)21-9-11/h11-17,20-22H,2-10,19H2,1H3/t11-,12?,13?,14+,15?,16?,17?/m1/s1
InChIKeyQZJZSZFBZMMUIR-KJGVXDFPSA-N
XLogP1.37
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine?
The IUPAC name of (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine (CID 141456619) is (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine.
What is the SMILES notation for (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine?
The canonical SMILES for (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine is C[C@@H]1CCC[C@H](N)C2CC(CCN2)C2CC(F)NCC2NC1.
What is the InChIKey of (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine?
The InChIKey is QZJZSZFBZMMUIR-KJGVXDFPSA-N. The full InChI is InChI=1S/C17H33FN4/c1-11-3-2-4-14(19)15-7-12(5-6-20-15)13-8-17(18)22-10-16(13)21-9-11/h11-17,20-22H,2-10,19H2,1H3/t11-,12?,13?,14+,15?,16?,17?/m1/s1.
What are the key properties of (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine?
(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine has a molecular weight of 312.48 g/mol, XLogP of 1.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine is sourced from PubChem (CID 141456619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).